USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 856 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 ASN : amide:sc= -1.77 K(o=-0.58,f=-8.8!) USER MOD Set 1.2: A 121 SER OG : rot -33:sc= 1.19 USER MOD Set 2.1: A 52 ASN :FLIP amide:sc= -0.0919 F(o=-1.2,f=0.5) USER MOD Set 2.2: A 63 CYS SG : rot 121:sc= 0.438 USER MOD Set 2.3: A 90 CYS SG : rot 142:sc= 0.152 USER MOD Set 3.1: A 43 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 46 THR OG1 : rot -128:sc= 0.921 USER MOD Single : A 26 GLN : amide:sc= 0.809 K(o=0.81,f=-0.24) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 166:sc= 0.399 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.835 K(o=0.83,f=-6.2!) USER MOD Single : A 41 ASN : amide:sc= 0.241 X(o=0.24,f=0) USER MOD Single : A 44 MET CE :methyl -145:sc= -0.187 (180deg=-1.42) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.00276 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 56 SER OG : rot 122:sc= 0.869 USER MOD Single : A 58 GLN : amide:sc= -0.191 K(o=-0.19,f=-0.94) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.145 USER MOD Single : A 68 GLN :FLIP amide:sc= -1.75 F(o=-2.4,f=-1.7) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -154:sc= 0 (180deg=-0.432) USER MOD Single : A 76 THR OG1 : rot 160:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 160:sc= -1.43 (180deg=-2.58!) USER MOD Single : A 83 ASN : amide:sc= 0.387 K(o=0.39,f=-0.31) USER MOD Single : A 94 THR OG1 : rot -39:sc= 0.2 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl 168:sc= 0 (180deg=-0.117) USER MOD Single : A 98 GLN : amide:sc= 0.163 X(o=0.16,f=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.188 USER MOD Single : A 103 HIS :FLIP no HD1:sc= -0.195 F(o=-0.83,f=-0.19) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 109 GLN : amide:sc= -0.2 X(o=-0.2,f=0) USER MOD Single : A 112 ASN : amide:sc= -0.0316 K(o=-0.032,f=-0.96) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.066) USER MOD Single : A 120 MET CE :methyl 174:sc= -0.108 (180deg=-0.181) USER MOD Single : A 122 ASN : amide:sc= -0.274 K(o=-0.27,f=-2.4!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 25 -3.043 -23.814 6.099 1.00 0.00 N ATOM 2 CA GLY A 25 -1.874 -22.940 5.969 1.00 0.00 C ATOM 3 C GLY A 25 -2.338 -21.527 5.732 1.00 0.00 C ATOM 4 O GLY A 25 -2.713 -21.199 4.610 1.00 0.00 O ATOM 0 HA2 GLY A 25 -1.266 -22.989 6.872 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.246 -23.273 5.143 1.00 0.00 H new ATOM 8 N GLN A 26 -2.347 -20.701 6.776 1.00 0.00 N ATOM 9 CA GLN A 26 -2.692 -19.292 6.696 1.00 0.00 C ATOM 10 C GLN A 26 -1.668 -18.497 7.514 1.00 0.00 C ATOM 11 O GLN A 26 -0.663 -19.068 7.943 1.00 0.00 O ATOM 12 CB GLN A 26 -4.148 -19.068 7.163 1.00 0.00 C ATOM 13 CG GLN A 26 -4.845 -17.956 6.355 1.00 0.00 C ATOM 14 CD GLN A 26 -5.909 -18.471 5.380 1.00 0.00 C ATOM 15 OE1 GLN A 26 -5.789 -19.555 4.806 1.00 0.00 O ATOM 16 NE2 GLN A 26 -6.951 -17.699 5.129 1.00 0.00 N ATOM 0 H GLN A 26 -2.109 -21.004 7.720 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.650 -18.938 5.666 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.709 -19.997 7.061 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.154 -18.806 8.221 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.310 -17.254 7.047 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.092 -17.400 5.796 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.048 -16.802 5.605 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.659 -18.000 4.459 1.00 0.00 H new ATOM 25 N GLU A 27 -1.924 -17.194 7.681 1.00 0.00 N ATOM 26 CA GLU A 27 -1.191 -16.198 8.449 1.00 0.00 C ATOM 27 C GLU A 27 0.324 -16.451 8.493 1.00 0.00 C ATOM 28 O GLU A 27 0.847 -17.149 9.370 1.00 0.00 O ATOM 29 CB GLU A 27 -1.838 -16.080 9.835 1.00 0.00 C ATOM 30 CG GLU A 27 -1.105 -15.124 10.791 1.00 0.00 C ATOM 31 CD GLU A 27 -1.447 -15.491 12.236 1.00 0.00 C ATOM 32 OE1 GLU A 27 -2.571 -15.198 12.689 1.00 0.00 O ATOM 33 OE2 GLU A 27 -0.635 -16.170 12.918 1.00 0.00 O ATOM 0 H GLU A 27 -2.737 -16.774 7.231 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.267 -15.235 7.944 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.867 -15.740 9.716 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.880 -17.070 10.290 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.028 -15.188 10.633 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.396 -14.094 10.587 1.00 0.00 H new ATOM 41 N LEU A 28 1.045 -15.862 7.537 1.00 0.00 N ATOM 42 CA LEU A 28 2.478 -16.079 7.410 1.00 0.00 C ATOM 43 C LEU A 28 3.321 -14.816 7.164 1.00 0.00 C ATOM 44 O LEU A 28 4.132 -14.788 6.241 1.00 0.00 O ATOM 45 CB LEU A 28 2.721 -17.265 6.453 1.00 0.00 C ATOM 46 CG LEU A 28 2.055 -17.277 5.060 1.00 0.00 C ATOM 47 CD1 LEU A 28 0.572 -17.670 5.016 1.00 0.00 C ATOM 48 CD2 LEU A 28 2.234 -15.961 4.312 1.00 0.00 C ATOM 0 H LEU A 28 0.653 -15.229 6.839 1.00 0.00 H new ATOM 0 HA LEU A 28 2.872 -16.363 8.386 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.797 -17.343 6.299 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.406 -18.171 6.971 1.00 0.00 H new ATOM 0 HG LEU A 28 2.599 -18.079 4.561 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.218 -17.641 3.985 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.451 -18.678 5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.008 -16.970 5.618 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.746 -16.026 3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.787 -15.151 4.889 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.297 -15.764 4.172 1.00 0.00 H new ATOM 60 N PRO A 29 3.215 -13.784 8.019 1.00 0.00 N ATOM 61 CA PRO A 29 4.077 -12.613 7.963 1.00 0.00 C ATOM 62 C PRO A 29 5.483 -12.921 8.500 1.00 0.00 C ATOM 63 O PRO A 29 5.641 -13.097 9.705 1.00 0.00 O ATOM 64 CB PRO A 29 3.368 -11.553 8.807 1.00 0.00 C ATOM 65 CG PRO A 29 2.588 -12.376 9.844 1.00 0.00 C ATOM 66 CD PRO A 29 2.313 -13.702 9.158 1.00 0.00 C ATOM 0 HA PRO A 29 4.230 -12.273 6.939 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.080 -10.879 9.284 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.703 -10.938 8.201 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.168 -12.515 10.756 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.661 -11.878 10.129 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.480 -14.533 9.843 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.274 -13.760 8.833 1.00 0.00 H new ATOM 74 N PRO A 30 6.542 -12.917 7.670 1.00 0.00 N ATOM 75 CA PRO A 30 7.899 -12.798 8.171 1.00 0.00 C ATOM 76 C PRO A 30 8.236 -11.325 8.477 1.00 0.00 C ATOM 77 O PRO A 30 9.351 -11.045 8.915 1.00 0.00 O ATOM 78 CB PRO A 30 8.760 -13.321 7.024 1.00 0.00 C ATOM 79 CG PRO A 30 8.037 -12.756 5.801 1.00 0.00 C ATOM 80 CD PRO A 30 6.566 -12.790 6.221 1.00 0.00 C ATOM 0 HA PRO A 30 8.057 -13.347 9.099 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.788 -12.965 7.091 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.800 -14.410 7.007 1.00 0.00 H new ATOM 0 HG2 PRO A 30 8.367 -11.743 5.570 1.00 0.00 H new ATOM 0 HG3 PRO A 30 8.216 -13.360 4.912 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.053 -11.882 5.905 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.050 -13.627 5.752 1.00 0.00 H new ATOM 88 N GLY A 31 7.341 -10.369 8.183 1.00 0.00 N ATOM 89 CA GLY A 31 7.635 -8.945 8.228 1.00 0.00 C ATOM 90 C GLY A 31 7.692 -8.405 6.807 1.00 0.00 C ATOM 91 O GLY A 31 6.712 -7.823 6.361 1.00 0.00 O ATOM 0 H GLY A 31 6.382 -10.576 7.904 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.869 -8.421 8.799 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.585 -8.773 8.734 1.00 0.00 H new ATOM 95 N THR A 32 8.783 -8.627 6.065 1.00 0.00 N ATOM 96 CA THR A 32 9.003 -7.962 4.783 1.00 0.00 C ATOM 97 C THR A 32 9.255 -8.974 3.683 1.00 0.00 C ATOM 98 O THR A 32 9.891 -10.018 3.870 1.00 0.00 O ATOM 99 CB THR A 32 10.148 -6.942 4.900 1.00 0.00 C ATOM 100 OG1 THR A 32 9.786 -5.926 5.809 1.00 0.00 O ATOM 101 CG2 THR A 32 10.552 -6.247 3.593 1.00 0.00 C ATOM 0 H THR A 32 9.530 -9.267 6.336 1.00 0.00 H new ATOM 0 HA THR A 32 8.099 -7.416 4.512 1.00 0.00 H new ATOM 0 HB THR A 32 11.003 -7.533 5.228 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.517 -5.278 5.884 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.366 -5.549 3.789 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.880 -6.994 2.870 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.697 -5.703 3.191 1.00 0.00 H new ATOM 109 N TYR A 33 8.783 -8.603 2.500 1.00 0.00 N ATOM 110 CA TYR A 33 9.063 -9.224 1.226 1.00 0.00 C ATOM 111 C TYR A 33 9.254 -8.099 0.197 1.00 0.00 C ATOM 112 O TYR A 33 9.122 -6.922 0.548 1.00 0.00 O ATOM 113 CB TYR A 33 7.957 -10.246 0.903 1.00 0.00 C ATOM 114 CG TYR A 33 6.605 -9.774 0.403 1.00 0.00 C ATOM 115 CD1 TYR A 33 6.006 -8.586 0.860 1.00 0.00 C ATOM 116 CD2 TYR A 33 5.897 -10.595 -0.490 1.00 0.00 C ATOM 117 CE1 TYR A 33 4.744 -8.179 0.401 1.00 0.00 C ATOM 118 CE2 TYR A 33 4.661 -10.167 -0.998 1.00 0.00 C ATOM 119 CZ TYR A 33 4.081 -8.952 -0.570 1.00 0.00 C ATOM 120 OH TYR A 33 2.895 -8.527 -1.086 1.00 0.00 O ATOM 0 H TYR A 33 8.153 -7.806 2.406 1.00 0.00 H new ATOM 0 HA TYR A 33 9.984 -9.807 1.223 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.357 -10.930 0.155 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.782 -10.829 1.807 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.529 -7.974 1.580 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.302 -11.552 -0.784 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.286 -7.281 0.789 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.146 -10.775 -1.727 1.00 0.00 H new ATOM 0 HH TYR A 33 2.680 -9.050 -1.886 1.00 0.00 H new ATOM 130 N ARG A 34 9.586 -8.411 -1.060 1.00 0.00 N ATOM 131 CA ARG A 34 9.775 -7.399 -2.105 1.00 0.00 C ATOM 132 C ARG A 34 9.182 -7.947 -3.383 1.00 0.00 C ATOM 133 O ARG A 34 9.483 -9.088 -3.722 1.00 0.00 O ATOM 134 CB ARG A 34 11.265 -7.059 -2.270 1.00 0.00 C ATOM 135 CG ARG A 34 11.482 -5.771 -3.088 1.00 0.00 C ATOM 136 CD ARG A 34 12.146 -5.950 -4.458 1.00 0.00 C ATOM 137 NE ARG A 34 13.073 -4.836 -4.699 1.00 0.00 N ATOM 138 CZ ARG A 34 13.783 -4.524 -5.787 1.00 0.00 C ATOM 139 NH1 ARG A 34 13.663 -5.191 -6.932 1.00 0.00 N ATOM 140 NH2 ARG A 34 14.632 -3.513 -5.681 1.00 0.00 N ATOM 0 H ARG A 34 9.731 -9.368 -1.381 1.00 0.00 H new ATOM 0 HA ARG A 34 9.274 -6.469 -1.836 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.720 -6.944 -1.286 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.773 -7.889 -2.761 1.00 0.00 H new ATOM 0 HG2 ARG A 34 10.515 -5.290 -3.235 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.092 -5.087 -2.497 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.682 -6.898 -4.494 1.00 0.00 H new ATOM 0 HD3 ARG A 34 11.388 -5.983 -5.241 1.00 0.00 H new ATOM 0 HE ARG A 34 13.194 -4.200 -3.911 1.00 0.00 H new ATOM 0 HH11 ARG A 34 13.011 -5.972 -7.001 1.00 0.00 H new ATOM 0 HH12 ARG A 34 14.223 -4.921 -7.740 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.720 -3.012 -4.797 1.00 0.00 H new ATOM 0 HH22 ARG A 34 15.197 -3.236 -6.483 1.00 0.00 H new ATOM 154 N VAL A 35 8.291 -7.194 -4.020 1.00 0.00 N ATOM 155 CA VAL A 35 7.353 -7.696 -5.024 1.00 0.00 C ATOM 156 C VAL A 35 6.996 -6.583 -5.998 1.00 0.00 C ATOM 157 O VAL A 35 7.374 -5.436 -5.751 1.00 0.00 O ATOM 158 CB VAL A 35 6.068 -8.185 -4.328 1.00 0.00 C ATOM 159 CG1 VAL A 35 6.381 -9.369 -3.425 1.00 0.00 C ATOM 160 CG2 VAL A 35 5.365 -7.129 -3.469 1.00 0.00 C ATOM 0 H VAL A 35 8.197 -6.193 -3.850 1.00 0.00 H new ATOM 0 HA VAL A 35 7.818 -8.520 -5.566 1.00 0.00 H new ATOM 0 HB VAL A 35 5.394 -8.450 -5.143 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.466 -9.707 -2.938 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.796 -10.182 -4.021 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.105 -9.068 -2.668 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.472 -7.562 -3.019 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.040 -6.791 -2.683 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.082 -6.281 -4.093 1.00 0.00 H new ATOM 170 N ASP A 36 6.204 -6.898 -7.025 1.00 0.00 N ATOM 171 CA ASP A 36 5.558 -5.919 -7.881 1.00 0.00 C ATOM 172 C ASP A 36 4.216 -5.632 -7.206 1.00 0.00 C ATOM 173 O ASP A 36 3.364 -6.512 -7.062 1.00 0.00 O ATOM 174 CB ASP A 36 5.431 -6.454 -9.322 1.00 0.00 C ATOM 175 CG ASP A 36 6.707 -6.198 -10.148 1.00 0.00 C ATOM 176 OD1 ASP A 36 6.623 -5.846 -11.347 1.00 0.00 O ATOM 177 OD2 ASP A 36 7.823 -6.332 -9.593 1.00 0.00 O ATOM 0 H ASP A 36 5.994 -7.862 -7.284 1.00 0.00 H new ATOM 0 HA ASP A 36 6.128 -4.996 -7.988 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.226 -7.524 -9.295 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.581 -5.979 -9.811 1.00 0.00 H new ATOM 183 N ILE A 37 4.068 -4.429 -6.665 1.00 0.00 N ATOM 184 CA ILE A 37 2.846 -3.909 -6.083 1.00 0.00 C ATOM 185 C ILE A 37 1.906 -3.614 -7.263 1.00 0.00 C ATOM 186 O ILE A 37 2.328 -3.038 -8.275 1.00 0.00 O ATOM 187 CB ILE A 37 3.163 -2.666 -5.214 1.00 0.00 C ATOM 188 CG1 ILE A 37 3.996 -3.053 -3.965 1.00 0.00 C ATOM 189 CG2 ILE A 37 1.860 -2.021 -4.723 1.00 0.00 C ATOM 190 CD1 ILE A 37 5.508 -2.970 -4.156 1.00 0.00 C ATOM 0 H ILE A 37 4.837 -3.760 -6.620 1.00 0.00 H new ATOM 0 HA ILE A 37 2.362 -4.615 -5.408 1.00 0.00 H new ATOM 0 HB ILE A 37 3.730 -1.972 -5.834 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.711 -2.401 -3.139 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.736 -4.070 -3.672 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.093 -1.148 -4.113 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.260 -1.715 -5.580 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.300 -2.741 -4.127 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.008 -3.258 -3.231 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.811 -3.644 -4.958 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.786 -1.949 -4.416 1.00 0.00 H new ATOM 202 N TYR A 38 0.640 -4.004 -7.131 1.00 0.00 N ATOM 203 CA TYR A 38 -0.309 -4.129 -8.227 1.00 0.00 C ATOM 204 C TYR A 38 -1.671 -3.632 -7.740 1.00 0.00 C ATOM 205 O TYR A 38 -2.345 -4.308 -6.961 1.00 0.00 O ATOM 206 CB TYR A 38 -0.345 -5.605 -8.664 1.00 0.00 C ATOM 207 CG TYR A 38 -0.052 -5.829 -10.128 1.00 0.00 C ATOM 208 CD1 TYR A 38 -1.092 -5.694 -11.060 1.00 0.00 C ATOM 209 CD2 TYR A 38 1.238 -6.190 -10.560 1.00 0.00 C ATOM 210 CE1 TYR A 38 -0.833 -5.877 -12.424 1.00 0.00 C ATOM 211 CE2 TYR A 38 1.488 -6.414 -11.927 1.00 0.00 C ATOM 212 CZ TYR A 38 0.452 -6.228 -12.869 1.00 0.00 C ATOM 213 OH TYR A 38 0.666 -6.367 -14.207 1.00 0.00 O ATOM 0 H TYR A 38 0.237 -4.249 -6.227 1.00 0.00 H new ATOM 0 HA TYR A 38 -0.022 -3.529 -9.090 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.379 -6.165 -8.071 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.329 -6.015 -8.436 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.090 -5.450 -10.726 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.037 -6.295 -9.841 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.630 -5.747 -13.141 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.468 -6.727 -12.254 1.00 0.00 H new ATOM 0 HH TYR A 38 1.602 -6.611 -14.365 1.00 0.00 H new ATOM 223 N LEU A 39 -2.081 -2.437 -8.154 1.00 0.00 N ATOM 224 CA LEU A 39 -3.274 -1.766 -7.652 1.00 0.00 C ATOM 225 C LEU A 39 -4.261 -1.576 -8.782 1.00 0.00 C ATOM 226 O LEU A 39 -3.864 -1.250 -9.894 1.00 0.00 O ATOM 227 CB LEU A 39 -2.878 -0.444 -6.992 1.00 0.00 C ATOM 228 CG LEU A 39 -4.102 0.350 -6.493 1.00 0.00 C ATOM 229 CD1 LEU A 39 -3.837 0.912 -5.103 1.00 0.00 C ATOM 230 CD2 LEU A 39 -4.522 1.489 -7.430 1.00 0.00 C ATOM 0 H LEU A 39 -1.583 -1.898 -8.862 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.763 -2.376 -6.892 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.211 -0.644 -6.153 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.320 0.163 -7.705 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.928 -0.361 -6.467 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.710 1.470 -4.764 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.638 0.093 -4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.973 1.576 -5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.389 2.002 -7.013 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.699 2.195 -7.536 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.777 1.080 -8.408 1.00 0.00 H new ATOM 242 N ASN A 40 -5.545 -1.769 -8.475 1.00 0.00 N ATOM 243 CA ASN A 40 -6.639 -1.786 -9.442 1.00 0.00 C ATOM 244 C ASN A 40 -6.292 -2.701 -10.618 1.00 0.00 C ATOM 245 O ASN A 40 -6.537 -2.377 -11.779 1.00 0.00 O ATOM 246 CB ASN A 40 -7.012 -0.347 -9.850 1.00 0.00 C ATOM 247 CG ASN A 40 -7.781 0.385 -8.763 1.00 0.00 C ATOM 248 OD1 ASN A 40 -8.368 -0.235 -7.881 1.00 0.00 O ATOM 249 ND2 ASN A 40 -7.849 1.699 -8.803 1.00 0.00 N ATOM 0 H ASN A 40 -5.860 -1.922 -7.517 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.535 -2.210 -8.989 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.104 0.208 -10.084 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.612 -0.375 -10.759 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.390 2.203 -8.101 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.361 2.213 -9.536 1.00 0.00 H new ATOM 256 N ASN A 41 -5.701 -3.858 -10.302 1.00 0.00 N ATOM 257 CA ASN A 41 -5.216 -4.863 -11.241 1.00 0.00 C ATOM 258 C ASN A 41 -4.159 -4.367 -12.210 1.00 0.00 C ATOM 259 O ASN A 41 -3.885 -5.077 -13.181 1.00 0.00 O ATOM 260 CB ASN A 41 -6.362 -5.536 -12.004 1.00 0.00 C ATOM 261 CG ASN A 41 -6.219 -7.047 -11.949 1.00 0.00 C ATOM 262 OD1 ASN A 41 -6.872 -7.728 -11.163 1.00 0.00 O ATOM 263 ND2 ASN A 41 -5.301 -7.592 -12.720 1.00 0.00 N ATOM 0 H ASN A 41 -5.542 -4.129 -9.332 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.724 -5.603 -10.609 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.318 -5.239 -11.573 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.362 -5.202 -13.042 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.123 -8.595 -12.670 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.768 -7.011 -13.367 1.00 0.00 H new ATOM 270 N GLY A 42 -3.545 -3.208 -11.969 1.00 0.00 N ATOM 271 CA GLY A 42 -2.510 -2.673 -12.825 1.00 0.00 C ATOM 272 C GLY A 42 -1.183 -2.582 -12.063 1.00 0.00 C ATOM 273 O GLY A 42 -1.180 -2.393 -10.843 1.00 0.00 O ATOM 0 H GLY A 42 -3.761 -2.617 -11.166 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.390 -3.308 -13.703 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.800 -1.685 -13.183 1.00 0.00 H new ATOM 277 N TYR A 43 -0.054 -2.754 -12.752 1.00 0.00 N ATOM 278 CA TYR A 43 1.277 -2.689 -12.153 1.00 0.00 C ATOM 279 C TYR A 43 1.581 -1.251 -11.724 1.00 0.00 C ATOM 280 O TYR A 43 1.334 -0.313 -12.487 1.00 0.00 O ATOM 281 CB TYR A 43 2.328 -3.188 -13.161 1.00 0.00 C ATOM 282 CG TYR A 43 3.762 -2.864 -12.785 1.00 0.00 C ATOM 283 CD1 TYR A 43 4.300 -3.237 -11.534 1.00 0.00 C ATOM 284 CD2 TYR A 43 4.555 -2.150 -13.698 1.00 0.00 C ATOM 285 CE1 TYR A 43 5.594 -2.815 -11.164 1.00 0.00 C ATOM 286 CE2 TYR A 43 5.829 -1.703 -13.325 1.00 0.00 C ATOM 287 CZ TYR A 43 6.339 -1.989 -12.043 1.00 0.00 C ATOM 288 OH TYR A 43 7.535 -1.444 -11.681 1.00 0.00 O ATOM 0 H TYR A 43 -0.040 -2.945 -13.754 1.00 0.00 H new ATOM 0 HA TYR A 43 1.310 -3.330 -11.272 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.228 -4.268 -13.266 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.114 -2.752 -14.137 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.719 -3.847 -10.858 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.182 -1.945 -14.690 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.015 -3.119 -10.217 1.00 0.00 H new ATOM 0 HE2 TYR A 43 6.424 -1.135 -14.025 1.00 0.00 H new ATOM 0 HH TYR A 43 7.889 -0.910 -12.423 1.00 0.00 H new ATOM 298 N MET A 44 2.160 -1.090 -10.530 1.00 0.00 N ATOM 299 CA MET A 44 2.544 0.203 -9.975 1.00 0.00 C ATOM 300 C MET A 44 4.055 0.305 -9.842 1.00 0.00 C ATOM 301 O MET A 44 4.685 1.161 -10.461 1.00 0.00 O ATOM 302 CB MET A 44 1.876 0.413 -8.601 1.00 0.00 C ATOM 303 CG MET A 44 0.368 0.582 -8.722 1.00 0.00 C ATOM 304 SD MET A 44 -0.060 1.985 -9.771 1.00 0.00 S ATOM 305 CE MET A 44 -1.750 1.503 -10.090 1.00 0.00 C ATOM 0 H MET A 44 2.377 -1.873 -9.913 1.00 0.00 H new ATOM 0 HA MET A 44 2.205 0.982 -10.657 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.095 -0.439 -7.957 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.303 1.294 -8.121 1.00 0.00 H new ATOM 0 HG2 MET A 44 -0.069 -0.328 -9.134 1.00 0.00 H new ATOM 0 HG3 MET A 44 -0.064 0.723 -7.731 1.00 0.00 H new ATOM 0 HE1 MET A 44 -2.025 1.790 -11.105 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.847 0.423 -9.979 1.00 0.00 H new ATOM 0 HE3 MET A 44 -2.411 2.002 -9.381 1.00 0.00 H new ATOM 315 N ALA A 45 4.615 -0.485 -8.933 1.00 0.00 N ATOM 316 CA ALA A 45 5.978 -0.289 -8.436 1.00 0.00 C ATOM 317 C ALA A 45 6.573 -1.593 -7.917 1.00 0.00 C ATOM 318 O ALA A 45 5.823 -2.519 -7.617 1.00 0.00 O ATOM 319 CB ALA A 45 5.938 0.733 -7.290 1.00 0.00 C ATOM 0 H ALA A 45 4.137 -1.284 -8.516 1.00 0.00 H new ATOM 0 HA ALA A 45 6.601 0.067 -9.257 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.947 0.891 -6.908 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.538 1.677 -7.659 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.301 0.357 -6.489 1.00 0.00 H new ATOM 325 N THR A 46 7.892 -1.624 -7.709 1.00 0.00 N ATOM 326 CA THR A 46 8.606 -2.785 -7.191 1.00 0.00 C ATOM 327 C THR A 46 9.563 -2.331 -6.090 1.00 0.00 C ATOM 328 O THR A 46 10.671 -1.889 -6.388 1.00 0.00 O ATOM 329 CB THR A 46 9.341 -3.509 -8.340 1.00 0.00 C ATOM 330 OG1 THR A 46 8.460 -3.781 -9.407 1.00 0.00 O ATOM 331 CG2 THR A 46 10.038 -4.801 -7.901 1.00 0.00 C ATOM 0 H THR A 46 8.500 -0.828 -7.900 1.00 0.00 H new ATOM 0 HA THR A 46 7.905 -3.499 -6.758 1.00 0.00 H new ATOM 0 HB THR A 46 10.121 -2.824 -8.671 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.517 -4.730 -9.645 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.534 -5.256 -8.758 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.778 -4.573 -7.133 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.299 -5.494 -7.498 1.00 0.00 H new ATOM 339 N ARG A 47 9.136 -2.378 -4.823 1.00 0.00 N ATOM 340 CA ARG A 47 9.924 -1.950 -3.661 1.00 0.00 C ATOM 341 C ARG A 47 9.587 -2.854 -2.477 1.00 0.00 C ATOM 342 O ARG A 47 8.601 -3.596 -2.542 1.00 0.00 O ATOM 343 CB ARG A 47 9.621 -0.477 -3.311 1.00 0.00 C ATOM 344 CG ARG A 47 9.929 0.546 -4.417 1.00 0.00 C ATOM 345 CD ARG A 47 11.427 0.676 -4.712 1.00 0.00 C ATOM 346 NE ARG A 47 11.704 1.135 -6.087 1.00 0.00 N ATOM 347 CZ ARG A 47 12.944 1.215 -6.596 1.00 0.00 C ATOM 348 NH1 ARG A 47 14.009 1.189 -5.799 1.00 0.00 N ATOM 349 NH2 ARG A 47 13.127 1.297 -7.908 1.00 0.00 N ATOM 0 H ARG A 47 8.210 -2.723 -4.571 1.00 0.00 H new ATOM 0 HA ARG A 47 10.986 -2.028 -3.895 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.566 -0.394 -3.048 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.193 -0.208 -2.423 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.409 0.254 -5.329 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.536 1.520 -4.123 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.872 1.375 -4.004 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.909 -0.289 -4.552 1.00 0.00 H new ATOM 0 HE ARG A 47 10.917 1.404 -6.678 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.889 1.108 -4.789 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.946 1.250 -6.198 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.323 1.300 -8.536 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.071 1.358 -8.288 1.00 0.00 H new ATOM 363 N ASP A 48 10.408 -2.840 -1.426 1.00 0.00 N ATOM 364 CA ASP A 48 10.212 -3.673 -0.232 1.00 0.00 C ATOM 365 C ASP A 48 8.917 -3.241 0.442 1.00 0.00 C ATOM 366 O ASP A 48 8.517 -2.076 0.347 1.00 0.00 O ATOM 367 CB ASP A 48 11.413 -3.625 0.729 1.00 0.00 C ATOM 368 CG ASP A 48 12.708 -4.038 0.030 1.00 0.00 C ATOM 369 OD1 ASP A 48 13.099 -5.227 0.103 1.00 0.00 O ATOM 370 OD2 ASP A 48 13.262 -3.187 -0.699 1.00 0.00 O ATOM 0 H ASP A 48 11.236 -2.246 -1.376 1.00 0.00 H new ATOM 0 HA ASP A 48 10.137 -4.718 -0.533 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.520 -2.617 1.129 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.229 -4.286 1.576 1.00 0.00 H new ATOM 376 N VAL A 49 8.232 -4.188 1.076 1.00 0.00 N ATOM 377 CA VAL A 49 6.904 -4.006 1.641 1.00 0.00 C ATOM 378 C VAL A 49 6.848 -4.822 2.925 1.00 0.00 C ATOM 379 O VAL A 49 7.028 -6.042 2.909 1.00 0.00 O ATOM 380 CB VAL A 49 5.814 -4.394 0.612 1.00 0.00 C ATOM 381 CG1 VAL A 49 6.230 -5.459 -0.405 1.00 0.00 C ATOM 382 CG2 VAL A 49 4.424 -4.631 1.215 1.00 0.00 C ATOM 0 H VAL A 49 8.599 -5.130 1.213 1.00 0.00 H new ATOM 0 HA VAL A 49 6.707 -2.961 1.881 1.00 0.00 H new ATOM 0 HB VAL A 49 5.709 -3.487 0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.399 -5.661 -1.081 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.085 -5.100 -0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.503 -6.375 0.119 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.724 -4.898 0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.476 -5.442 1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.082 -3.722 1.710 1.00 0.00 H new ATOM 392 N THR A 50 6.589 -4.143 4.031 1.00 0.00 N ATOM 393 CA THR A 50 6.306 -4.739 5.320 1.00 0.00 C ATOM 394 C THR A 50 4.812 -5.107 5.368 1.00 0.00 C ATOM 395 O THR A 50 3.959 -4.371 4.857 1.00 0.00 O ATOM 396 CB THR A 50 6.644 -3.741 6.447 1.00 0.00 C ATOM 397 OG1 THR A 50 7.693 -2.858 6.086 1.00 0.00 O ATOM 398 CG2 THR A 50 7.053 -4.460 7.736 1.00 0.00 C ATOM 0 H THR A 50 6.570 -3.123 4.053 1.00 0.00 H new ATOM 0 HA THR A 50 6.913 -5.633 5.460 1.00 0.00 H new ATOM 0 HB THR A 50 5.731 -3.169 6.613 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.873 -2.243 6.828 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.283 -3.724 8.506 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.234 -5.095 8.074 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.933 -5.074 7.546 1.00 0.00 H new ATOM 406 N PHE A 51 4.461 -6.223 6.005 1.00 0.00 N ATOM 407 CA PHE A 51 3.111 -6.601 6.362 1.00 0.00 C ATOM 408 C PHE A 51 3.130 -7.365 7.694 1.00 0.00 C ATOM 409 O PHE A 51 4.131 -7.988 8.044 1.00 0.00 O ATOM 410 CB PHE A 51 2.488 -7.428 5.232 1.00 0.00 C ATOM 411 CG PHE A 51 3.287 -8.620 4.770 1.00 0.00 C ATOM 412 CD1 PHE A 51 4.466 -8.493 4.004 1.00 0.00 C ATOM 413 CD2 PHE A 51 2.811 -9.882 5.125 1.00 0.00 C ATOM 414 CE1 PHE A 51 5.220 -9.645 3.710 1.00 0.00 C ATOM 415 CE2 PHE A 51 3.523 -11.033 4.762 1.00 0.00 C ATOM 416 CZ PHE A 51 4.740 -10.906 4.083 1.00 0.00 C ATOM 0 H PHE A 51 5.150 -6.916 6.297 1.00 0.00 H new ATOM 0 HA PHE A 51 2.494 -5.713 6.496 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.509 -7.777 5.561 1.00 0.00 H new ATOM 0 HB3 PHE A 51 2.323 -6.773 4.377 1.00 0.00 H new ATOM 0 HD1 PHE A 51 4.785 -7.525 3.648 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.890 -9.972 5.682 1.00 0.00 H new ATOM 0 HE1 PHE A 51 6.167 -9.556 3.198 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.135 -12.011 5.005 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.314 -11.789 3.845 1.00 0.00 H new ATOM 426 N ASN A 52 2.031 -7.285 8.445 1.00 0.00 N ATOM 427 CA ASN A 52 1.867 -7.768 9.826 1.00 0.00 C ATOM 428 C ASN A 52 0.404 -8.196 9.972 1.00 0.00 C ATOM 429 O ASN A 52 -0.372 -7.949 9.050 1.00 0.00 O ATOM 430 CB ASN A 52 2.157 -6.663 10.865 1.00 0.00 C ATOM 431 CG ASN A 52 3.418 -5.844 10.598 1.00 0.00 C ATOM 432 OD1 ASN A 52 3.348 -4.932 9.637 1.00 0.00 O flip ATOM 433 ND2 ASN A 52 4.458 -5.994 11.236 1.00 0.00 N flip ATOM 0 H ASN A 52 1.177 -6.856 8.088 1.00 0.00 H new ATOM 0 HA ASN A 52 2.567 -8.583 10.007 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.303 -5.987 10.902 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.242 -7.123 11.849 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.507 -6.697 11.974 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.272 -5.416 11.027 1.00 0.00 H new ATOM 440 N THR A 53 -0.010 -8.816 11.074 1.00 0.00 N ATOM 441 CA THR A 53 -1.405 -9.215 11.269 1.00 0.00 C ATOM 442 C THR A 53 -2.351 -7.997 11.300 1.00 0.00 C ATOM 443 O THR A 53 -1.960 -6.889 11.673 1.00 0.00 O ATOM 444 CB THR A 53 -1.528 -10.102 12.527 1.00 0.00 C ATOM 445 OG1 THR A 53 -0.381 -10.022 13.355 1.00 0.00 O ATOM 446 CG2 THR A 53 -1.742 -11.565 12.111 1.00 0.00 C ATOM 0 H THR A 53 0.605 -9.055 11.852 1.00 0.00 H new ATOM 0 HA THR A 53 -1.722 -9.810 10.413 1.00 0.00 H new ATOM 0 HB THR A 53 -2.382 -9.736 13.097 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.503 -10.597 14.139 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.828 -12.188 13.002 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.655 -11.646 11.522 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.894 -11.901 11.514 1.00 0.00 H new ATOM 454 N GLY A 54 -3.625 -8.196 10.948 1.00 0.00 N ATOM 455 CA GLY A 54 -4.657 -7.174 10.873 1.00 0.00 C ATOM 456 C GLY A 54 -5.989 -7.806 10.478 1.00 0.00 C ATOM 457 O GLY A 54 -6.648 -8.412 11.325 1.00 0.00 O ATOM 0 H GLY A 54 -3.975 -9.121 10.697 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.754 -6.672 11.836 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.375 -6.414 10.144 1.00 0.00 H new ATOM 461 N ASP A 55 -6.389 -7.649 9.212 1.00 0.00 N ATOM 462 CA ASP A 55 -7.686 -8.059 8.669 1.00 0.00 C ATOM 463 C ASP A 55 -7.527 -8.267 7.159 1.00 0.00 C ATOM 464 O ASP A 55 -7.283 -7.288 6.452 1.00 0.00 O ATOM 465 CB ASP A 55 -8.721 -6.950 8.933 1.00 0.00 C ATOM 466 CG ASP A 55 -10.134 -7.415 8.601 1.00 0.00 C ATOM 467 OD1 ASP A 55 -10.708 -6.970 7.585 1.00 0.00 O ATOM 468 OD2 ASP A 55 -10.725 -8.134 9.438 1.00 0.00 O ATOM 0 H ASP A 55 -5.792 -7.214 8.509 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.024 -8.981 9.142 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.673 -6.647 9.979 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.476 -6.072 8.335 1.00 0.00 H new ATOM 474 N SER A 56 -7.557 -9.515 6.670 1.00 0.00 N ATOM 475 CA SER A 56 -7.472 -9.879 5.251 1.00 0.00 C ATOM 476 C SER A 56 -7.640 -11.404 5.122 1.00 0.00 C ATOM 477 O SER A 56 -7.974 -12.086 6.088 1.00 0.00 O ATOM 478 CB SER A 56 -6.129 -9.433 4.642 1.00 0.00 C ATOM 479 OG SER A 56 -6.104 -9.531 3.227 1.00 0.00 O ATOM 0 H SER A 56 -7.645 -10.330 7.277 1.00 0.00 H new ATOM 0 HA SER A 56 -8.264 -9.370 4.702 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.929 -8.402 4.933 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.327 -10.043 5.058 1.00 0.00 H new ATOM 0 HG SER A 56 -5.905 -8.652 2.842 1.00 0.00 H new ATOM 485 N GLU A 57 -7.374 -11.948 3.934 1.00 0.00 N ATOM 486 CA GLU A 57 -7.323 -13.366 3.598 1.00 0.00 C ATOM 487 C GLU A 57 -6.379 -14.109 4.544 1.00 0.00 C ATOM 488 O GLU A 57 -6.805 -14.937 5.343 1.00 0.00 O ATOM 489 CB GLU A 57 -6.889 -13.496 2.126 1.00 0.00 C ATOM 490 CG GLU A 57 -7.185 -14.889 1.551 1.00 0.00 C ATOM 491 CD GLU A 57 -8.220 -14.847 0.426 1.00 0.00 C ATOM 492 OE1 GLU A 57 -9.247 -14.147 0.549 1.00 0.00 O ATOM 493 OE2 GLU A 57 -8.011 -15.519 -0.608 1.00 0.00 O ATOM 0 H GLU A 57 -7.174 -11.363 3.123 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.305 -13.823 3.719 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.404 -12.743 1.530 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.821 -13.291 2.045 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.261 -15.328 1.175 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.545 -15.539 2.348 1.00 0.00 H new ATOM 501 N GLN A 58 -5.091 -13.784 4.485 1.00 0.00 N ATOM 502 CA GLN A 58 -4.047 -14.337 5.339 1.00 0.00 C ATOM 503 C GLN A 58 -4.046 -13.704 6.732 1.00 0.00 C ATOM 504 O GLN A 58 -3.052 -13.827 7.438 1.00 0.00 O ATOM 505 CB GLN A 58 -2.706 -14.181 4.605 1.00 0.00 C ATOM 506 CG GLN A 58 -2.561 -15.131 3.415 1.00 0.00 C ATOM 507 CD GLN A 58 -1.350 -14.750 2.564 1.00 0.00 C ATOM 508 OE1 GLN A 58 -0.250 -14.569 3.069 1.00 0.00 O ATOM 509 NE2 GLN A 58 -1.525 -14.587 1.270 1.00 0.00 N ATOM 0 H GLN A 58 -4.733 -13.103 3.816 1.00 0.00 H new ATOM 0 HA GLN A 58 -4.233 -15.396 5.520 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.607 -13.153 4.256 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.891 -14.360 5.307 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.453 -16.155 3.772 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.464 -15.099 2.806 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.445 -14.740 0.857 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.741 -14.308 0.680 1.00 0.00 H new ATOM 518 N GLY A 59 -5.094 -12.982 7.123 1.00 0.00 N ATOM 519 CA GLY A 59 -5.150 -12.287 8.393 1.00 0.00 C ATOM 520 C GLY A 59 -4.115 -11.171 8.522 1.00 0.00 C ATOM 521 O GLY A 59 -4.040 -10.578 9.595 1.00 0.00 O ATOM 0 H GLY A 59 -5.934 -12.866 6.556 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.146 -11.865 8.524 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.000 -13.006 9.199 1.00 0.00 H new ATOM 525 N ILE A 60 -3.332 -10.873 7.478 1.00 0.00 N ATOM 526 CA ILE A 60 -2.261 -9.881 7.459 1.00 0.00 C ATOM 527 C ILE A 60 -2.605 -8.694 6.573 1.00 0.00 C ATOM 528 O ILE A 60 -3.432 -8.789 5.666 1.00 0.00 O ATOM 529 CB ILE A 60 -0.933 -10.488 6.954 1.00 0.00 C ATOM 530 CG1 ILE A 60 -1.154 -11.385 5.726 1.00 0.00 C ATOM 531 CG2 ILE A 60 -0.212 -11.277 8.042 1.00 0.00 C ATOM 532 CD1 ILE A 60 0.086 -11.563 4.864 1.00 0.00 C ATOM 0 H ILE A 60 -3.437 -11.344 6.579 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.146 -9.546 8.490 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.302 -9.646 6.667 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.496 -12.364 6.060 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.951 -10.960 5.116 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.716 -11.685 7.641 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.014 -10.618 8.880 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.850 -12.093 8.383 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.149 -12.208 4.017 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.418 -10.591 4.499 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.879 -12.018 5.457 1.00 0.00 H new ATOM 544 N VAL A 61 -1.888 -7.594 6.776 1.00 0.00 N ATOM 545 CA VAL A 61 -2.027 -6.371 6.026 1.00 0.00 C ATOM 546 C VAL A 61 -0.667 -5.724 5.764 1.00 0.00 C ATOM 547 O VAL A 61 0.191 -5.721 6.650 1.00 0.00 O ATOM 548 CB VAL A 61 -2.971 -5.409 6.780 1.00 0.00 C ATOM 549 CG1 VAL A 61 -4.431 -5.882 6.753 1.00 0.00 C ATOM 550 CG2 VAL A 61 -2.536 -5.198 8.243 1.00 0.00 C ATOM 0 H VAL A 61 -1.169 -7.537 7.497 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.462 -6.601 5.053 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.902 -4.459 6.249 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.054 -5.172 7.297 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.773 -5.948 5.720 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.505 -6.863 7.223 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.229 -4.515 8.734 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.539 -6.155 8.765 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.532 -4.775 8.267 1.00 0.00 H new ATOM 560 N PRO A 62 -0.459 -5.152 4.565 1.00 0.00 N ATOM 561 CA PRO A 62 0.741 -4.402 4.230 1.00 0.00 C ATOM 562 C PRO A 62 0.734 -3.020 4.886 1.00 0.00 C ATOM 563 O PRO A 62 -0.282 -2.573 5.428 1.00 0.00 O ATOM 564 CB PRO A 62 0.744 -4.345 2.700 1.00 0.00 C ATOM 565 CG PRO A 62 -0.749 -4.261 2.389 1.00 0.00 C ATOM 566 CD PRO A 62 -1.347 -5.214 3.410 1.00 0.00 C ATOM 0 HA PRO A 62 1.652 -4.869 4.604 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.290 -3.480 2.324 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.205 -5.229 2.259 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -1.132 -3.247 2.506 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -0.969 -4.569 1.367 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -2.361 -4.917 3.678 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -1.406 -6.228 3.014 1.00 0.00 H new ATOM 574 N CYS A 63 1.856 -2.314 4.783 1.00 0.00 N ATOM 575 CA CYS A 63 2.132 -1.046 5.429 1.00 0.00 C ATOM 576 C CYS A 63 2.466 -0.033 4.350 1.00 0.00 C ATOM 577 O CYS A 63 3.511 -0.122 3.707 1.00 0.00 O ATOM 578 CB CYS A 63 3.293 -1.221 6.411 1.00 0.00 C ATOM 579 SG CYS A 63 2.957 -2.369 7.771 1.00 0.00 S ATOM 0 H CYS A 63 2.638 -2.635 4.212 1.00 0.00 H new ATOM 0 HA CYS A 63 1.269 -0.694 5.993 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.167 -1.573 5.862 1.00 0.00 H new ATOM 0 HB3 CYS A 63 3.549 -0.247 6.829 1.00 0.00 H new ATOM 0 HG CYS A 63 3.820 -3.341 7.742 1.00 0.00 H new ATOM 585 N LEU A 64 1.522 0.863 4.077 1.00 0.00 N ATOM 586 CA LEU A 64 1.579 1.780 2.958 1.00 0.00 C ATOM 587 C LEU A 64 1.371 3.153 3.555 1.00 0.00 C ATOM 588 O LEU A 64 0.438 3.336 4.340 1.00 0.00 O ATOM 589 CB LEU A 64 0.480 1.518 1.915 1.00 0.00 C ATOM 590 CG LEU A 64 0.018 0.079 1.627 1.00 0.00 C ATOM 591 CD1 LEU A 64 1.144 -0.885 1.245 1.00 0.00 C ATOM 592 CD2 LEU A 64 -0.940 -0.464 2.693 1.00 0.00 C ATOM 0 H LEU A 64 0.681 0.969 4.644 1.00 0.00 H new ATOM 0 HA LEU A 64 2.529 1.669 2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.399 2.085 2.221 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.821 1.944 0.971 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.574 0.149 0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.728 -1.875 1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.641 -0.526 0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.866 -0.942 2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.231 -1.482 2.436 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.443 -0.463 3.663 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.828 0.167 2.739 1.00 0.00 H new ATOM 604 N THR A 65 2.217 4.115 3.210 1.00 0.00 N ATOM 605 CA THR A 65 2.077 5.448 3.768 1.00 0.00 C ATOM 606 C THR A 65 1.255 6.323 2.830 1.00 0.00 C ATOM 607 O THR A 65 1.024 5.959 1.675 1.00 0.00 O ATOM 608 CB THR A 65 3.448 6.016 4.133 1.00 0.00 C ATOM 609 OG1 THR A 65 4.254 6.182 2.982 1.00 0.00 O ATOM 610 CG2 THR A 65 4.164 5.056 5.071 1.00 0.00 C ATOM 0 H THR A 65 2.993 3.999 2.558 1.00 0.00 H new ATOM 0 HA THR A 65 1.519 5.414 4.704 1.00 0.00 H new ATOM 0 HB THR A 65 3.291 6.984 4.609 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.125 6.548 3.243 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.142 5.462 5.331 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.573 4.925 5.978 1.00 0.00 H new ATOM 0 HG23 THR A 65 4.291 4.092 4.578 1.00 0.00 H new ATOM 618 N ARG A 66 0.851 7.516 3.278 1.00 0.00 N ATOM 619 CA ARG A 66 0.265 8.523 2.383 1.00 0.00 C ATOM 620 C ARG A 66 1.146 8.702 1.153 1.00 0.00 C ATOM 621 O ARG A 66 0.621 8.785 0.038 1.00 0.00 O ATOM 622 CB ARG A 66 0.205 9.882 3.115 1.00 0.00 C ATOM 623 CG ARG A 66 -0.950 10.122 4.090 1.00 0.00 C ATOM 624 CD ARG A 66 -0.552 11.054 5.247 1.00 0.00 C ATOM 625 NE ARG A 66 -1.069 12.435 5.213 1.00 0.00 N ATOM 626 CZ ARG A 66 -0.325 13.556 5.289 1.00 0.00 C ATOM 627 NH1 ARG A 66 0.983 13.538 5.036 1.00 0.00 N ATOM 628 NH2 ARG A 66 -0.869 14.726 5.594 1.00 0.00 N ATOM 0 H ARG A 66 0.918 7.809 4.253 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.731 8.192 2.090 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.138 10.007 3.665 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.173 10.667 2.360 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.793 10.554 3.552 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.286 9.167 4.494 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.881 10.594 6.179 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.536 11.102 5.282 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.078 12.552 5.124 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.441 12.664 4.779 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.527 14.399 5.100 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.870 14.791 5.777 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.286 15.561 5.646 1.00 0.00 H new ATOM 642 N ALA A 67 2.461 8.741 1.376 1.00 0.00 N ATOM 643 CA ALA A 67 3.450 8.909 0.340 1.00 0.00 C ATOM 644 C ALA A 67 3.297 7.801 -0.690 1.00 0.00 C ATOM 645 O ALA A 67 3.008 8.074 -1.857 1.00 0.00 O ATOM 646 CB ALA A 67 4.845 8.895 0.962 1.00 0.00 C ATOM 0 H ALA A 67 2.865 8.653 2.309 1.00 0.00 H new ATOM 0 HA ALA A 67 3.308 9.866 -0.162 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.593 9.022 0.180 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.931 9.709 1.682 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.008 7.944 1.469 1.00 0.00 H new ATOM 652 N GLN A 68 3.490 6.551 -0.263 1.00 0.00 N ATOM 653 CA GLN A 68 3.498 5.441 -1.197 1.00 0.00 C ATOM 654 C GLN A 68 2.144 5.314 -1.887 1.00 0.00 C ATOM 655 O GLN A 68 2.106 5.213 -3.109 1.00 0.00 O ATOM 656 CB GLN A 68 3.939 4.141 -0.506 1.00 0.00 C ATOM 657 CG GLN A 68 4.985 3.406 -1.365 1.00 0.00 C ATOM 658 CD GLN A 68 6.299 4.172 -1.580 1.00 0.00 C ATOM 659 OE1 GLN A 68 6.689 5.070 -0.688 1.00 0.00 O flip ATOM 660 NE2 GLN A 68 6.960 4.022 -2.600 1.00 0.00 N flip ATOM 0 H GLN A 68 3.640 6.292 0.712 1.00 0.00 H new ATOM 0 HA GLN A 68 4.235 5.640 -1.975 1.00 0.00 H new ATOM 0 HB2 GLN A 68 4.358 4.367 0.475 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.075 3.497 -0.343 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.212 2.449 -0.895 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.546 3.187 -2.338 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.673 3.335 -3.297 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.797 4.584 -2.753 1.00 0.00 H new ATOM 669 N LEU A 69 1.041 5.428 -1.137 1.00 0.00 N ATOM 670 CA LEU A 69 -0.309 5.312 -1.671 1.00 0.00 C ATOM 671 C LEU A 69 -0.555 6.243 -2.871 1.00 0.00 C ATOM 672 O LEU A 69 -1.202 5.852 -3.845 1.00 0.00 O ATOM 673 CB LEU A 69 -1.371 5.494 -0.569 1.00 0.00 C ATOM 674 CG LEU A 69 -1.444 4.350 0.475 1.00 0.00 C ATOM 675 CD1 LEU A 69 -2.433 4.667 1.605 1.00 0.00 C ATOM 676 CD2 LEU A 69 -1.894 3.037 -0.162 1.00 0.00 C ATOM 0 H LEU A 69 1.068 5.605 -0.133 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.408 4.296 -2.053 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.172 6.429 -0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.348 5.595 -1.042 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.435 4.254 0.876 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.453 3.839 2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.120 5.577 2.118 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.429 4.811 1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.934 2.258 0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.883 3.166 -0.601 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.187 2.749 -0.940 1.00 0.00 H new ATOM 688 N ALA A 70 -0.040 7.479 -2.828 1.00 0.00 N ATOM 689 CA ALA A 70 -0.211 8.448 -3.914 1.00 0.00 C ATOM 690 C ALA A 70 0.506 8.036 -5.192 1.00 0.00 C ATOM 691 O ALA A 70 0.097 8.450 -6.276 1.00 0.00 O ATOM 692 CB ALA A 70 0.307 9.813 -3.462 1.00 0.00 C ATOM 0 H ALA A 70 0.505 7.833 -2.041 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.276 8.493 -4.141 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.181 10.535 -4.268 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.254 10.144 -2.588 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.364 9.735 -3.207 1.00 0.00 H new ATOM 698 N SER A 71 1.543 7.220 -5.067 1.00 0.00 N ATOM 699 CA SER A 71 2.265 6.670 -6.213 1.00 0.00 C ATOM 700 C SER A 71 1.373 5.711 -7.021 1.00 0.00 C ATOM 701 O SER A 71 1.556 5.568 -8.233 1.00 0.00 O ATOM 702 CB SER A 71 3.553 5.993 -5.727 1.00 0.00 C ATOM 703 OG SER A 71 4.530 5.986 -6.746 1.00 0.00 O ATOM 0 H SER A 71 1.911 6.918 -4.165 1.00 0.00 H new ATOM 0 HA SER A 71 2.540 7.479 -6.890 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.937 6.517 -4.852 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.337 4.971 -5.417 1.00 0.00 H new ATOM 0 HG SER A 71 5.344 5.551 -6.416 1.00 0.00 H new ATOM 709 N MET A 72 0.376 5.082 -6.382 1.00 0.00 N ATOM 710 CA MET A 72 -0.609 4.262 -7.071 1.00 0.00 C ATOM 711 C MET A 72 -1.814 5.074 -7.557 1.00 0.00 C ATOM 712 O MET A 72 -2.627 4.555 -8.319 1.00 0.00 O ATOM 713 CB MET A 72 -1.076 3.105 -6.184 1.00 0.00 C ATOM 714 CG MET A 72 0.063 2.280 -5.582 1.00 0.00 C ATOM 715 SD MET A 72 0.480 2.692 -3.881 1.00 0.00 S ATOM 716 CE MET A 72 2.172 2.057 -3.773 1.00 0.00 C ATOM 0 H MET A 72 0.237 5.133 -5.373 1.00 0.00 H new ATOM 0 HA MET A 72 -0.112 3.857 -7.953 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.687 3.505 -5.375 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.716 2.447 -6.771 1.00 0.00 H new ATOM 0 HG2 MET A 72 -0.208 1.225 -5.629 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.952 2.409 -6.200 1.00 0.00 H new ATOM 0 HE1 MET A 72 2.402 1.809 -2.737 1.00 0.00 H new ATOM 0 HE2 MET A 72 2.265 1.163 -4.389 1.00 0.00 H new ATOM 0 HE3 MET A 72 2.869 2.816 -4.128 1.00 0.00 H new ATOM 726 N GLY A 73 -1.942 6.331 -7.122 1.00 0.00 N ATOM 727 CA GLY A 73 -2.892 7.301 -7.660 1.00 0.00 C ATOM 728 C GLY A 73 -3.982 7.684 -6.662 1.00 0.00 C ATOM 729 O GLY A 73 -4.902 8.438 -6.986 1.00 0.00 O ATOM 0 H GLY A 73 -1.371 6.709 -6.366 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.354 8.199 -7.964 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.356 6.889 -8.556 1.00 0.00 H new ATOM 733 N LEU A 74 -3.895 7.154 -5.441 1.00 0.00 N ATOM 734 CA LEU A 74 -4.800 7.444 -4.339 1.00 0.00 C ATOM 735 C LEU A 74 -4.807 8.953 -4.041 1.00 0.00 C ATOM 736 O LEU A 74 -3.921 9.708 -4.454 1.00 0.00 O ATOM 737 CB LEU A 74 -4.369 6.532 -3.178 1.00 0.00 C ATOM 738 CG LEU A 74 -5.157 6.420 -1.857 1.00 0.00 C ATOM 739 CD1 LEU A 74 -4.647 7.336 -0.755 1.00 0.00 C ATOM 740 CD2 LEU A 74 -6.669 6.526 -1.862 1.00 0.00 C ATOM 0 H LEU A 74 -3.165 6.488 -5.188 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.844 7.224 -4.562 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.305 5.523 -3.585 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.356 6.832 -2.909 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.943 5.368 -1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.252 7.199 0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.608 7.093 -0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.715 8.373 -1.083 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.044 6.423 -0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.964 7.496 -2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -7.087 5.735 -2.484 1.00 0.00 H new ATOM 752 N ASN A 75 -5.846 9.402 -3.346 1.00 0.00 N ATOM 753 CA ASN A 75 -6.092 10.779 -2.964 1.00 0.00 C ATOM 754 C ASN A 75 -6.162 10.823 -1.444 1.00 0.00 C ATOM 755 O ASN A 75 -7.248 10.724 -0.871 1.00 0.00 O ATOM 756 CB ASN A 75 -7.376 11.320 -3.601 1.00 0.00 C ATOM 757 CG ASN A 75 -7.587 12.787 -3.255 1.00 0.00 C ATOM 758 OD1 ASN A 75 -6.989 13.324 -2.329 1.00 0.00 O ATOM 759 ND2 ASN A 75 -8.439 13.452 -4.005 1.00 0.00 N ATOM 0 H ASN A 75 -6.579 8.774 -3.017 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.286 11.419 -3.324 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.325 11.203 -4.683 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.230 10.736 -3.257 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.616 14.440 -3.823 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.923 12.980 -4.769 1.00 0.00 H new ATOM 766 N THR A 76 -5.016 10.956 -0.777 1.00 0.00 N ATOM 767 CA THR A 76 -4.949 11.028 0.682 1.00 0.00 C ATOM 768 C THR A 76 -5.799 12.179 1.225 1.00 0.00 C ATOM 769 O THR A 76 -6.317 12.073 2.334 1.00 0.00 O ATOM 770 CB THR A 76 -3.483 11.172 1.140 1.00 0.00 C ATOM 771 OG1 THR A 76 -2.977 12.463 0.849 1.00 0.00 O ATOM 772 CG2 THR A 76 -2.464 10.234 0.496 1.00 0.00 C ATOM 0 H THR A 76 -4.106 11.017 -1.234 1.00 0.00 H new ATOM 0 HA THR A 76 -5.356 10.101 1.085 1.00 0.00 H new ATOM 0 HB THR A 76 -3.568 10.938 2.201 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.195 12.642 1.412 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.474 10.437 0.904 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.738 9.200 0.706 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.452 10.394 -0.582 1.00 0.00 H new ATOM 780 N ALA A 77 -5.961 13.260 0.453 1.00 0.00 N ATOM 781 CA ALA A 77 -6.717 14.428 0.844 1.00 0.00 C ATOM 782 C ALA A 77 -8.222 14.153 0.815 1.00 0.00 C ATOM 783 O ALA A 77 -8.944 14.849 1.529 1.00 0.00 O ATOM 784 CB ALA A 77 -6.264 15.629 0.007 1.00 0.00 C ATOM 0 H ALA A 77 -5.556 13.336 -0.480 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.512 14.682 1.884 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.833 16.512 0.300 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.202 15.809 0.174 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.435 15.421 -1.049 1.00 0.00 H new ATOM 790 N SER A 78 -8.668 13.111 0.098 1.00 0.00 N ATOM 791 CA SER A 78 -10.054 12.653 0.119 1.00 0.00 C ATOM 792 C SER A 78 -10.307 11.645 1.237 1.00 0.00 C ATOM 793 O SER A 78 -11.439 11.562 1.705 1.00 0.00 O ATOM 794 CB SER A 78 -10.464 12.053 -1.242 1.00 0.00 C ATOM 795 OG SER A 78 -11.778 12.458 -1.604 1.00 0.00 O ATOM 0 H SER A 78 -8.067 12.562 -0.516 1.00 0.00 H new ATOM 0 HA SER A 78 -10.671 13.530 0.315 1.00 0.00 H new ATOM 0 HB2 SER A 78 -9.758 12.369 -2.010 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.416 10.965 -1.193 1.00 0.00 H new ATOM 0 HG SER A 78 -12.014 12.066 -2.471 1.00 0.00 H new ATOM 801 N VAL A 79 -9.310 10.847 1.634 1.00 0.00 N ATOM 802 CA VAL A 79 -9.503 9.844 2.667 1.00 0.00 C ATOM 803 C VAL A 79 -9.429 10.625 3.972 1.00 0.00 C ATOM 804 O VAL A 79 -8.398 11.245 4.276 1.00 0.00 O ATOM 805 CB VAL A 79 -8.484 8.681 2.595 1.00 0.00 C ATOM 806 CG1 VAL A 79 -8.972 7.532 3.453 1.00 0.00 C ATOM 807 CG2 VAL A 79 -8.211 8.113 1.196 1.00 0.00 C ATOM 0 H VAL A 79 -8.365 10.882 1.251 1.00 0.00 H new ATOM 0 HA VAL A 79 -10.458 9.330 2.554 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.549 9.121 2.943 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.256 6.712 3.404 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -9.071 7.866 4.486 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.940 7.191 3.087 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.483 7.305 1.267 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.139 7.729 0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.817 8.901 0.554 1.00 0.00 H new ATOM 817 N ALA A 80 -10.536 10.652 4.711 1.00 0.00 N ATOM 818 CA ALA A 80 -10.589 11.240 6.038 1.00 0.00 C ATOM 819 C ALA A 80 -9.527 10.571 6.901 1.00 0.00 C ATOM 820 O ALA A 80 -9.141 9.439 6.624 1.00 0.00 O ATOM 821 CB ALA A 80 -11.975 10.994 6.619 1.00 0.00 C ATOM 0 H ALA A 80 -11.425 10.262 4.399 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.401 12.313 6.001 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -12.034 11.429 7.617 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -12.726 11.455 5.977 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -12.159 9.921 6.680 1.00 0.00 H new ATOM 827 N GLY A 81 -9.024 11.246 7.932 1.00 0.00 N ATOM 828 CA GLY A 81 -7.972 10.702 8.785 1.00 0.00 C ATOM 829 C GLY A 81 -6.607 10.644 8.094 1.00 0.00 C ATOM 830 O GLY A 81 -5.622 11.121 8.658 1.00 0.00 O ATOM 0 H GLY A 81 -9.333 12.181 8.198 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.891 11.311 9.685 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.254 9.699 9.104 1.00 0.00 H new ATOM 834 N MET A 82 -6.500 10.113 6.870 1.00 0.00 N ATOM 835 CA MET A 82 -5.235 9.893 6.198 1.00 0.00 C ATOM 836 C MET A 82 -4.505 11.203 6.020 1.00 0.00 C ATOM 837 O MET A 82 -3.334 11.309 6.350 1.00 0.00 O ATOM 838 CB MET A 82 -5.497 9.247 4.848 1.00 0.00 C ATOM 839 CG MET A 82 -4.159 8.989 4.168 1.00 0.00 C ATOM 840 SD MET A 82 -4.219 8.168 2.575 1.00 0.00 S ATOM 841 CE MET A 82 -4.799 6.576 3.141 1.00 0.00 C ATOM 0 H MET A 82 -7.308 9.823 6.319 1.00 0.00 H new ATOM 0 HA MET A 82 -4.611 9.233 6.801 1.00 0.00 H new ATOM 0 HB2 MET A 82 -6.044 8.313 4.975 1.00 0.00 H new ATOM 0 HB3 MET A 82 -6.116 9.898 4.231 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.651 9.945 4.041 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.545 8.388 4.839 1.00 0.00 H new ATOM 0 HE1 MET A 82 -5.239 6.031 2.306 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.962 6.007 3.546 1.00 0.00 H new ATOM 0 HE3 MET A 82 -5.551 6.718 3.918 1.00 0.00 H new ATOM 851 N ASN A 83 -5.171 12.219 5.499 1.00 0.00 N ATOM 852 CA ASN A 83 -4.563 13.528 5.323 1.00 0.00 C ATOM 853 C ASN A 83 -4.148 14.182 6.648 1.00 0.00 C ATOM 854 O ASN A 83 -3.469 15.208 6.592 1.00 0.00 O ATOM 855 CB ASN A 83 -5.566 14.441 4.613 1.00 0.00 C ATOM 856 CG ASN A 83 -6.832 14.652 5.432 1.00 0.00 C ATOM 857 OD1 ASN A 83 -6.869 15.511 6.305 1.00 0.00 O ATOM 858 ND2 ASN A 83 -7.879 13.871 5.216 1.00 0.00 N ATOM 0 H ASN A 83 -6.141 12.162 5.188 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.656 13.390 4.735 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.099 15.406 4.414 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.828 14.009 3.647 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -8.723 13.982 5.778 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.842 13.158 4.488 1.00 0.00 H new ATOM 865 N LEU A 84 -4.510 13.635 7.817 1.00 0.00 N ATOM 866 CA LEU A 84 -4.168 14.229 9.101 1.00 0.00 C ATOM 867 C LEU A 84 -2.850 13.618 9.578 1.00 0.00 C ATOM 868 O LEU A 84 -2.009 14.341 10.116 1.00 0.00 O ATOM 869 CB LEU A 84 -5.305 14.020 10.119 1.00 0.00 C ATOM 870 CG LEU A 84 -6.685 14.548 9.680 1.00 0.00 C ATOM 871 CD1 LEU A 84 -7.742 14.209 10.732 1.00 0.00 C ATOM 872 CD2 LEU A 84 -6.686 16.068 9.471 1.00 0.00 C ATOM 0 H LEU A 84 -5.047 12.771 7.891 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.041 15.307 8.997 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.392 12.954 10.329 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.028 14.507 11.054 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.916 14.064 8.731 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.712 14.588 10.409 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.798 13.128 10.856 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.471 14.670 11.682 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.680 16.392 9.162 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.416 16.564 10.403 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.963 16.330 8.698 1.00 0.00 H new ATOM 884 N LEU A 85 -2.670 12.319 9.316 1.00 0.00 N ATOM 885 CA LEU A 85 -1.492 11.512 9.616 1.00 0.00 C ATOM 886 C LEU A 85 -0.224 12.110 8.993 1.00 0.00 C ATOM 887 O LEU A 85 -0.312 12.927 8.075 1.00 0.00 O ATOM 888 CB LEU A 85 -1.740 10.081 9.100 1.00 0.00 C ATOM 889 CG LEU A 85 -2.684 9.275 10.017 1.00 0.00 C ATOM 890 CD1 LEU A 85 -3.565 8.310 9.225 1.00 0.00 C ATOM 891 CD2 LEU A 85 -1.871 8.438 10.989 1.00 0.00 C ATOM 0 H LEU A 85 -3.397 11.770 8.857 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.331 11.496 10.694 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.166 10.129 8.098 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.787 9.559 9.016 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.311 10.000 10.536 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.213 7.764 9.910 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.175 8.872 8.518 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.936 7.605 8.681 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.544 7.872 11.633 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.236 7.749 10.433 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.249 9.092 11.600 1.00 0.00 H new ATOM 903 N ALA A 86 0.951 11.690 9.470 1.00 0.00 N ATOM 904 CA ALA A 86 2.248 12.063 8.917 1.00 0.00 C ATOM 905 C ALA A 86 2.446 11.459 7.521 1.00 0.00 C ATOM 906 O ALA A 86 1.768 10.502 7.149 1.00 0.00 O ATOM 907 CB ALA A 86 3.359 11.580 9.851 1.00 0.00 C ATOM 0 H ALA A 86 1.024 11.065 10.273 1.00 0.00 H new ATOM 0 HA ALA A 86 2.286 13.149 8.827 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.328 11.859 9.438 1.00 0.00 H new ATOM 0 HB2 ALA A 86 3.236 12.041 10.831 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.305 10.496 9.950 1.00 0.00 H new ATOM 913 N ASP A 87 3.378 12.012 6.738 1.00 0.00 N ATOM 914 CA ASP A 87 3.659 11.539 5.370 1.00 0.00 C ATOM 915 C ASP A 87 4.065 10.101 5.347 1.00 0.00 C ATOM 916 O ASP A 87 3.619 9.371 4.457 1.00 0.00 O ATOM 917 CB ASP A 87 4.731 12.346 4.624 1.00 0.00 C ATOM 918 CG ASP A 87 5.926 12.822 5.449 1.00 0.00 C ATOM 919 OD1 ASP A 87 6.579 11.986 6.090 1.00 0.00 O ATOM 920 OD2 ASP A 87 6.165 14.046 5.561 1.00 0.00 O ATOM 0 H ASP A 87 3.959 12.798 7.029 1.00 0.00 H new ATOM 0 HA ASP A 87 2.711 11.680 4.851 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.106 11.736 3.802 1.00 0.00 H new ATOM 0 HB3 ASP A 87 4.253 13.220 4.181 1.00 0.00 H new ATOM 926 N ASP A 88 4.854 9.720 6.335 1.00 0.00 N ATOM 927 CA ASP A 88 5.395 8.390 6.451 1.00 0.00 C ATOM 928 C ASP A 88 4.817 7.733 7.706 1.00 0.00 C ATOM 929 O ASP A 88 5.455 6.959 8.420 1.00 0.00 O ATOM 930 CB ASP A 88 6.897 8.564 6.510 1.00 0.00 C ATOM 931 CG ASP A 88 7.658 7.237 6.528 1.00 0.00 C ATOM 932 OD1 ASP A 88 8.477 7.035 7.449 1.00 0.00 O ATOM 933 OD2 ASP A 88 7.535 6.470 5.541 1.00 0.00 O ATOM 0 H ASP A 88 5.139 10.343 7.091 1.00 0.00 H new ATOM 0 HA ASP A 88 5.139 7.737 5.616 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.222 9.150 5.650 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.155 9.135 7.402 1.00 0.00 H new ATOM 939 N ALA A 89 3.539 8.010 7.962 1.00 0.00 N ATOM 940 CA ALA A 89 2.741 7.191 8.853 1.00 0.00 C ATOM 941 C ALA A 89 2.320 5.955 8.066 1.00 0.00 C ATOM 942 O ALA A 89 1.760 6.108 6.977 1.00 0.00 O ATOM 943 CB ALA A 89 1.485 7.970 9.241 1.00 0.00 C ATOM 0 H ALA A 89 3.038 8.802 7.559 1.00 0.00 H new ATOM 0 HA ALA A 89 3.300 6.921 9.749 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.875 7.365 9.912 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.771 8.894 9.744 1.00 0.00 H new ATOM 0 HB3 ALA A 89 0.912 8.207 8.344 1.00 0.00 H new ATOM 949 N CYS A 90 2.514 4.753 8.602 1.00 0.00 N ATOM 950 CA CYS A 90 1.841 3.569 8.087 1.00 0.00 C ATOM 951 C CYS A 90 0.335 3.808 8.192 1.00 0.00 C ATOM 952 O CYS A 90 -0.160 4.124 9.284 1.00 0.00 O ATOM 953 CB CYS A 90 2.231 2.337 8.914 1.00 0.00 C ATOM 954 SG CYS A 90 1.362 0.852 8.383 1.00 0.00 S ATOM 0 H CYS A 90 3.133 4.575 9.393 1.00 0.00 H new ATOM 0 HA CYS A 90 2.131 3.390 7.052 1.00 0.00 H new ATOM 0 HB2 CYS A 90 3.306 2.174 8.834 1.00 0.00 H new ATOM 0 HB3 CYS A 90 2.015 2.525 9.966 1.00 0.00 H new ATOM 0 HG CYS A 90 2.163 -0.169 8.455 1.00 0.00 H new ATOM 960 N VAL A 91 -0.400 3.636 7.097 1.00 0.00 N ATOM 961 CA VAL A 91 -1.840 3.821 7.032 1.00 0.00 C ATOM 962 C VAL A 91 -2.446 2.462 6.614 1.00 0.00 C ATOM 963 O VAL A 91 -1.761 1.676 5.949 1.00 0.00 O ATOM 964 CB VAL A 91 -2.166 4.968 6.036 1.00 0.00 C ATOM 965 CG1 VAL A 91 -3.510 5.610 6.364 1.00 0.00 C ATOM 966 CG2 VAL A 91 -1.174 6.141 6.037 1.00 0.00 C ATOM 0 H VAL A 91 0.006 3.355 6.204 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.269 4.117 7.989 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.137 4.465 5.070 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.715 6.410 5.652 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.297 4.859 6.302 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.480 6.021 7.373 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.492 6.887 5.308 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.145 6.592 7.029 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.180 5.777 5.775 1.00 0.00 H new ATOM 976 N PRO A 92 -3.712 2.160 6.956 1.00 0.00 N ATOM 977 CA PRO A 92 -4.394 0.965 6.458 1.00 0.00 C ATOM 978 C PRO A 92 -4.599 1.035 4.936 1.00 0.00 C ATOM 979 O PRO A 92 -4.279 2.050 4.302 1.00 0.00 O ATOM 980 CB PRO A 92 -5.712 0.889 7.238 1.00 0.00 C ATOM 981 CG PRO A 92 -5.922 2.270 7.841 1.00 0.00 C ATOM 982 CD PRO A 92 -4.518 2.832 7.967 1.00 0.00 C ATOM 0 HA PRO A 92 -3.807 0.060 6.615 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -6.539 0.620 6.581 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.662 0.127 8.016 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.546 2.894 7.201 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -6.417 2.211 8.810 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.516 3.911 7.811 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.117 2.654 8.965 1.00 0.00 H new ATOM 990 N LEU A 93 -5.204 -0.006 4.350 1.00 0.00 N ATOM 991 CA LEU A 93 -5.962 0.133 3.112 1.00 0.00 C ATOM 992 C LEU A 93 -7.433 -0.275 3.202 1.00 0.00 C ATOM 993 O LEU A 93 -8.252 0.462 2.659 1.00 0.00 O ATOM 994 CB LEU A 93 -5.257 -0.482 1.906 1.00 0.00 C ATOM 995 CG LEU A 93 -5.831 0.057 0.574 1.00 0.00 C ATOM 996 CD1 LEU A 93 -5.765 1.591 0.464 1.00 0.00 C ATOM 997 CD2 LEU A 93 -5.025 -0.505 -0.591 1.00 0.00 C ATOM 0 H LEU A 93 -5.180 -0.956 4.720 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.990 1.210 2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.190 -0.264 1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.363 -1.566 1.936 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.876 -0.253 0.546 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.183 1.905 -0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.339 2.039 1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.727 1.916 0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.429 -0.126 -1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.983 -0.199 -0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.085 -1.593 -0.584 1.00 0.00 H new ATOM 1009 N THR A 94 -7.794 -1.332 3.929 1.00 0.00 N ATOM 1010 CA THR A 94 -9.179 -1.801 3.982 1.00 0.00 C ATOM 1011 C THR A 94 -10.075 -0.983 4.933 1.00 0.00 C ATOM 1012 O THR A 94 -11.241 -1.356 5.117 1.00 0.00 O ATOM 1013 CB THR A 94 -9.186 -3.317 4.278 1.00 0.00 C ATOM 1014 OG1 THR A 94 -10.420 -3.899 3.926 1.00 0.00 O ATOM 1015 CG2 THR A 94 -8.875 -3.687 5.733 1.00 0.00 C ATOM 0 H THR A 94 -7.144 -1.882 4.491 1.00 0.00 H new ATOM 0 HA THR A 94 -9.635 -1.636 3.006 1.00 0.00 H new ATOM 0 HB THR A 94 -8.377 -3.713 3.664 1.00 0.00 H new ATOM 0 HG1 THR A 94 -11.149 -3.290 4.165 1.00 0.00 H new ATOM 0 HG21 THR A 94 -8.902 -4.771 5.847 1.00 0.00 H new ATOM 0 HG22 THR A 94 -7.884 -3.319 5.998 1.00 0.00 H new ATOM 0 HG23 THR A 94 -9.618 -3.235 6.390 1.00 0.00 H new ATOM 1023 N THR A 95 -9.559 0.081 5.564 1.00 0.00 N ATOM 1024 CA THR A 95 -10.095 0.584 6.832 1.00 0.00 C ATOM 1025 C THR A 95 -10.473 2.073 6.769 1.00 0.00 C ATOM 1026 O THR A 95 -11.646 2.409 6.950 1.00 0.00 O ATOM 1027 CB THR A 95 -9.091 0.291 7.960 1.00 0.00 C ATOM 1028 OG1 THR A 95 -8.346 -0.896 7.733 1.00 0.00 O ATOM 1029 CG2 THR A 95 -9.774 0.164 9.323 1.00 0.00 C ATOM 0 H THR A 95 -8.763 0.613 5.211 1.00 0.00 H new ATOM 0 HA THR A 95 -11.027 0.059 7.041 1.00 0.00 H new ATOM 0 HB THR A 95 -8.416 1.147 7.963 1.00 0.00 H new ATOM 0 HG1 THR A 95 -7.722 -1.037 8.475 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.025 -0.043 10.087 1.00 0.00 H new ATOM 0 HG22 THR A 95 -10.288 1.096 9.561 1.00 0.00 H new ATOM 0 HG23 THR A 95 -10.497 -0.651 9.293 1.00 0.00 H new ATOM 1037 N MET A 96 -9.512 2.965 6.493 1.00 0.00 N ATOM 1038 CA MET A 96 -9.726 4.395 6.273 1.00 0.00 C ATOM 1039 C MET A 96 -10.532 4.635 4.987 1.00 0.00 C ATOM 1040 O MET A 96 -11.267 5.612 4.864 1.00 0.00 O ATOM 1041 CB MET A 96 -8.394 5.151 6.112 1.00 0.00 C ATOM 1042 CG MET A 96 -8.540 6.589 6.595 1.00 0.00 C ATOM 1043 SD MET A 96 -8.532 6.861 8.383 1.00 0.00 S ATOM 1044 CE MET A 96 -6.786 6.573 8.695 1.00 0.00 C ATOM 0 H MET A 96 -8.531 2.697 6.415 1.00 0.00 H new ATOM 0 HA MET A 96 -10.264 4.761 7.148 1.00 0.00 H new ATOM 0 HB2 MET A 96 -7.611 4.647 6.679 1.00 0.00 H new ATOM 0 HB3 MET A 96 -8.086 5.141 5.066 1.00 0.00 H new ATOM 0 HG2 MET A 96 -7.731 7.176 6.160 1.00 0.00 H new ATOM 0 HG3 MET A 96 -9.473 6.987 6.196 1.00 0.00 H new ATOM 0 HE1 MET A 96 -6.538 6.900 9.705 1.00 0.00 H new ATOM 0 HE2 MET A 96 -6.569 5.510 8.594 1.00 0.00 H new ATOM 0 HE3 MET A 96 -6.190 7.135 7.975 1.00 0.00 H new ATOM 1054 N VAL A 97 -10.290 3.783 3.992 1.00 0.00 N ATOM 1055 CA VAL A 97 -10.858 3.823 2.655 1.00 0.00 C ATOM 1056 C VAL A 97 -11.913 2.720 2.632 1.00 0.00 C ATOM 1057 O VAL A 97 -11.674 1.645 3.188 1.00 0.00 O ATOM 1058 CB VAL A 97 -9.756 3.546 1.608 1.00 0.00 C ATOM 1059 CG1 VAL A 97 -10.237 3.875 0.192 1.00 0.00 C ATOM 1060 CG2 VAL A 97 -8.461 4.339 1.832 1.00 0.00 C ATOM 0 H VAL A 97 -9.650 2.998 4.111 1.00 0.00 H new ATOM 0 HA VAL A 97 -11.290 4.795 2.417 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.542 2.484 1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -9.438 3.669 -0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -11.105 3.262 -0.049 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -10.510 4.929 0.136 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -7.740 4.086 1.054 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -8.677 5.407 1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.045 4.088 2.808 1.00 0.00 H new ATOM 1070 N GLN A 98 -13.067 2.967 2.010 1.00 0.00 N ATOM 1071 CA GLN A 98 -14.104 1.965 1.911 1.00 0.00 C ATOM 1072 C GLN A 98 -13.953 1.284 0.554 1.00 0.00 C ATOM 1073 O GLN A 98 -13.547 1.934 -0.416 1.00 0.00 O ATOM 1074 CB GLN A 98 -15.478 2.627 2.086 1.00 0.00 C ATOM 1075 CG GLN A 98 -16.428 2.553 0.881 1.00 0.00 C ATOM 1076 CD GLN A 98 -16.513 3.773 -0.018 1.00 0.00 C ATOM 1077 OE1 GLN A 98 -17.302 4.685 0.204 1.00 0.00 O ATOM 1078 NE2 GLN A 98 -15.764 3.784 -1.107 1.00 0.00 N ATOM 0 H GLN A 98 -13.298 3.858 1.570 1.00 0.00 H new ATOM 0 HA GLN A 98 -14.017 1.213 2.695 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -15.973 2.166 2.941 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -15.323 3.677 2.335 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -16.128 1.703 0.268 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -17.430 2.339 1.254 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -15.110 3.021 -1.284 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -15.840 4.555 -1.770 1.00 0.00 H new ATOM 1087 N ASP A 99 -14.407 0.030 0.456 1.00 0.00 N ATOM 1088 CA ASP A 99 -14.433 -0.844 -0.737 1.00 0.00 C ATOM 1089 C ASP A 99 -13.047 -1.140 -1.296 1.00 0.00 C ATOM 1090 O ASP A 99 -12.896 -1.949 -2.208 1.00 0.00 O ATOM 1091 CB ASP A 99 -15.271 -0.236 -1.872 1.00 0.00 C ATOM 1092 CG ASP A 99 -16.019 -1.243 -2.743 1.00 0.00 C ATOM 1093 OD1 ASP A 99 -16.288 -0.903 -3.917 1.00 0.00 O ATOM 1094 OD2 ASP A 99 -16.453 -2.310 -2.250 1.00 0.00 O ATOM 0 H ASP A 99 -14.798 -0.444 1.270 1.00 0.00 H new ATOM 0 HA ASP A 99 -14.881 -1.774 -0.386 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -15.996 0.453 -1.438 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -14.614 0.354 -2.511 1.00 0.00 H new ATOM 1100 N ALA A 100 -12.046 -0.440 -0.775 1.00 0.00 N ATOM 1101 CA ALA A 100 -10.645 -0.715 -1.023 1.00 0.00 C ATOM 1102 C ALA A 100 -10.210 -1.959 -0.263 1.00 0.00 C ATOM 1103 O ALA A 100 -10.718 -2.242 0.824 1.00 0.00 O ATOM 1104 CB ALA A 100 -9.792 0.465 -0.584 1.00 0.00 C ATOM 0 H ALA A 100 -12.196 0.354 -0.153 1.00 0.00 H new ATOM 0 HA ALA A 100 -10.511 -0.880 -2.092 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -8.742 0.246 -0.776 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -10.085 1.354 -1.143 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.937 0.642 0.482 1.00 0.00 H new ATOM 1110 N THR A 101 -9.244 -2.675 -0.828 1.00 0.00 N ATOM 1111 CA THR A 101 -8.895 -4.027 -0.412 1.00 0.00 C ATOM 1112 C THR A 101 -7.390 -4.245 -0.599 1.00 0.00 C ATOM 1113 O THR A 101 -6.734 -3.456 -1.296 1.00 0.00 O ATOM 1114 CB THR A 101 -9.740 -5.023 -1.232 1.00 0.00 C ATOM 1115 OG1 THR A 101 -9.443 -4.927 -2.611 1.00 0.00 O ATOM 1116 CG2 THR A 101 -11.256 -4.818 -1.093 1.00 0.00 C ATOM 0 H THR A 101 -8.674 -2.327 -1.599 1.00 0.00 H new ATOM 0 HA THR A 101 -9.114 -4.184 0.644 1.00 0.00 H new ATOM 0 HB THR A 101 -9.476 -5.999 -0.825 1.00 0.00 H new ATOM 0 HG1 THR A 101 -9.990 -5.569 -3.109 1.00 0.00 H new ATOM 0 HG21 THR A 101 -11.780 -5.557 -1.699 1.00 0.00 H new ATOM 0 HG22 THR A 101 -11.545 -4.935 -0.048 1.00 0.00 H new ATOM 0 HG23 THR A 101 -11.520 -3.816 -1.432 1.00 0.00 H new ATOM 1124 N ALA A 102 -6.822 -5.288 0.021 1.00 0.00 N ATOM 1125 CA ALA A 102 -5.411 -5.629 -0.100 1.00 0.00 C ATOM 1126 C ALA A 102 -5.189 -7.115 0.204 1.00 0.00 C ATOM 1127 O ALA A 102 -5.627 -7.601 1.246 1.00 0.00 O ATOM 1128 CB ALA A 102 -4.593 -4.767 0.868 1.00 0.00 C ATOM 0 H ALA A 102 -7.342 -5.923 0.627 1.00 0.00 H new ATOM 0 HA ALA A 102 -5.086 -5.435 -1.122 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.537 -5.021 0.778 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -4.734 -3.714 0.626 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -4.925 -4.952 1.890 1.00 0.00 H new ATOM 1134 N HIS A 103 -4.466 -7.814 -0.673 1.00 0.00 N ATOM 1135 CA HIS A 103 -4.150 -9.237 -0.588 1.00 0.00 C ATOM 1136 C HIS A 103 -2.773 -9.488 -1.182 1.00 0.00 C ATOM 1137 O HIS A 103 -2.460 -9.120 -2.313 1.00 0.00 O ATOM 1138 CB HIS A 103 -5.247 -10.015 -1.347 1.00 0.00 C ATOM 1139 CG HIS A 103 -5.049 -11.505 -1.537 1.00 0.00 C ATOM 1140 ND1 HIS A 103 -4.039 -12.126 -2.230 1.00 0.00 N flip ATOM 1141 CD2 HIS A 103 -5.973 -12.478 -1.224 1.00 0.00 C flip ATOM 1142 CE1 HIS A 103 -4.320 -13.493 -2.293 1.00 0.00 C flip ATOM 1143 NE2 HIS A 103 -5.515 -13.645 -1.707 1.00 0.00 N flip ATOM 0 H HIS A 103 -4.065 -7.378 -1.504 1.00 0.00 H new ATOM 0 HA HIS A 103 -4.127 -9.574 0.448 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -6.189 -9.866 -0.820 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -5.358 -9.563 -2.333 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -6.898 -12.329 -0.687 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -3.702 -14.267 -2.725 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -6.013 -14.532 -1.637 1.00 0.00 H new ATOM 1152 N LEU A 104 -1.961 -10.186 -0.410 1.00 0.00 N ATOM 1153 CA LEU A 104 -0.636 -10.650 -0.742 1.00 0.00 C ATOM 1154 C LEU A 104 -0.742 -11.898 -1.609 1.00 0.00 C ATOM 1155 O LEU A 104 -1.064 -12.972 -1.102 1.00 0.00 O ATOM 1156 CB LEU A 104 0.041 -10.941 0.602 1.00 0.00 C ATOM 1157 CG LEU A 104 1.201 -11.939 0.614 1.00 0.00 C ATOM 1158 CD1 LEU A 104 2.114 -11.875 -0.596 1.00 0.00 C ATOM 1159 CD2 LEU A 104 2.073 -11.623 1.786 1.00 0.00 C ATOM 0 H LEU A 104 -2.235 -10.461 0.533 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.058 -9.922 -1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.407 -9.996 1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.722 -11.306 1.290 1.00 0.00 H new ATOM 0 HG LEU A 104 0.736 -12.925 0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.904 -12.619 -0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.537 -12.078 -1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.558 -10.882 -0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.909 -12.322 1.817 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.454 -10.606 1.692 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.493 -11.710 2.705 1.00 0.00 H new ATOM 1171 N ASP A 105 -0.411 -11.789 -2.899 1.00 0.00 N ATOM 1172 CA ASP A 105 -0.299 -12.976 -3.742 1.00 0.00 C ATOM 1173 C ASP A 105 1.080 -13.590 -3.560 1.00 0.00 C ATOM 1174 O ASP A 105 2.053 -13.172 -4.191 1.00 0.00 O ATOM 1175 CB ASP A 105 -0.528 -12.677 -5.233 1.00 0.00 C ATOM 1176 CG ASP A 105 -0.844 -13.941 -6.044 1.00 0.00 C ATOM 1177 OD1 ASP A 105 -1.366 -13.791 -7.177 1.00 0.00 O ATOM 1178 OD2 ASP A 105 -0.574 -15.066 -5.563 1.00 0.00 O ATOM 0 H ASP A 105 -0.220 -10.906 -3.373 1.00 0.00 H new ATOM 0 HA ASP A 105 -1.081 -13.668 -3.429 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -1.350 -11.968 -5.336 1.00 0.00 H new ATOM 0 HB3 ASP A 105 0.360 -12.198 -5.645 1.00 0.00 H new ATOM 1184 N VAL A 106 1.213 -14.506 -2.606 1.00 0.00 N ATOM 1185 CA VAL A 106 2.541 -14.944 -2.199 1.00 0.00 C ATOM 1186 C VAL A 106 3.076 -15.971 -3.179 1.00 0.00 C ATOM 1187 O VAL A 106 4.295 -16.071 -3.326 1.00 0.00 O ATOM 1188 CB VAL A 106 2.504 -15.401 -0.736 1.00 0.00 C ATOM 1189 CG1 VAL A 106 1.803 -16.730 -0.474 1.00 0.00 C ATOM 1190 CG2 VAL A 106 3.887 -15.343 -0.079 1.00 0.00 C ATOM 0 H VAL A 106 0.439 -14.949 -2.112 1.00 0.00 H new ATOM 0 HA VAL A 106 3.254 -14.120 -2.234 1.00 0.00 H new ATOM 0 HB VAL A 106 1.862 -14.666 -0.250 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.836 -16.955 0.592 1.00 0.00 H new ATOM 0 HG12 VAL A 106 0.765 -16.664 -0.799 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.307 -17.522 -1.028 1.00 0.00 H new ATOM 0 HG21 VAL A 106 3.812 -15.676 0.956 1.00 0.00 H new ATOM 0 HG22 VAL A 106 4.574 -15.993 -0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.260 -14.319 -0.105 1.00 0.00 H new ATOM 1200 N GLY A 107 2.203 -16.680 -3.903 1.00 0.00 N ATOM 1201 CA GLY A 107 2.656 -17.728 -4.788 1.00 0.00 C ATOM 1202 C GLY A 107 3.234 -17.155 -6.082 1.00 0.00 C ATOM 1203 O GLY A 107 3.924 -17.858 -6.816 1.00 0.00 O ATOM 0 H GLY A 107 1.193 -16.541 -3.886 1.00 0.00 H new ATOM 0 HA2 GLY A 107 3.413 -18.329 -4.285 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.825 -18.393 -5.022 1.00 0.00 H new ATOM 1207 N GLN A 108 2.971 -15.875 -6.357 1.00 0.00 N ATOM 1208 CA GLN A 108 3.458 -15.140 -7.517 1.00 0.00 C ATOM 1209 C GLN A 108 4.066 -13.802 -7.088 1.00 0.00 C ATOM 1210 O GLN A 108 4.086 -12.864 -7.885 1.00 0.00 O ATOM 1211 CB GLN A 108 2.316 -14.949 -8.521 1.00 0.00 C ATOM 1212 CG GLN A 108 1.719 -16.275 -9.001 1.00 0.00 C ATOM 1213 CD GLN A 108 0.809 -16.039 -10.201 1.00 0.00 C ATOM 1214 OE1 GLN A 108 1.231 -15.561 -11.251 1.00 0.00 O ATOM 1215 NE2 GLN A 108 -0.473 -16.306 -10.063 1.00 0.00 N ATOM 0 H GLN A 108 2.387 -15.302 -5.748 1.00 0.00 H new ATOM 0 HA GLN A 108 4.248 -15.712 -8.004 1.00 0.00 H new ATOM 0 HB2 GLN A 108 1.531 -14.348 -8.062 1.00 0.00 H new ATOM 0 HB3 GLN A 108 2.684 -14.389 -9.381 1.00 0.00 H new ATOM 0 HG2 GLN A 108 2.518 -16.965 -9.272 1.00 0.00 H new ATOM 0 HG3 GLN A 108 1.155 -16.742 -8.194 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -0.820 -16.703 -9.190 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -1.119 -16.116 -10.829 1.00 0.00 H new ATOM 1224 N GLN A 109 4.517 -13.724 -5.829 1.00 0.00 N ATOM 1225 CA GLN A 109 5.054 -12.555 -5.142 1.00 0.00 C ATOM 1226 C GLN A 109 4.549 -11.227 -5.729 1.00 0.00 C ATOM 1227 O GLN A 109 5.240 -10.537 -6.480 1.00 0.00 O ATOM 1228 CB GLN A 109 6.586 -12.679 -5.010 1.00 0.00 C ATOM 1229 CG GLN A 109 6.943 -13.362 -3.676 1.00 0.00 C ATOM 1230 CD GLN A 109 8.380 -13.112 -3.224 1.00 0.00 C ATOM 1231 OE1 GLN A 109 9.242 -13.977 -3.317 1.00 0.00 O ATOM 1232 NE2 GLN A 109 8.650 -11.946 -2.664 1.00 0.00 N ATOM 0 H GLN A 109 4.513 -14.544 -5.222 1.00 0.00 H new ATOM 0 HA GLN A 109 4.661 -12.531 -4.125 1.00 0.00 H new ATOM 0 HB2 GLN A 109 6.986 -13.257 -5.843 1.00 0.00 H new ATOM 0 HB3 GLN A 109 7.045 -11.692 -5.057 1.00 0.00 H new ATOM 0 HG2 GLN A 109 6.261 -13.008 -2.903 1.00 0.00 H new ATOM 0 HG3 GLN A 109 6.784 -14.436 -3.774 1.00 0.00 H new ATOM 0 HE21 GLN A 109 7.923 -11.234 -2.593 1.00 0.00 H new ATOM 0 HE22 GLN A 109 9.585 -11.758 -2.303 1.00 0.00 H new ATOM 1241 N ARG A 110 3.323 -10.863 -5.347 1.00 0.00 N ATOM 1242 CA ARG A 110 2.650 -9.631 -5.743 1.00 0.00 C ATOM 1243 C ARG A 110 1.934 -9.065 -4.532 1.00 0.00 C ATOM 1244 O ARG A 110 1.731 -9.758 -3.527 1.00 0.00 O ATOM 1245 CB ARG A 110 1.754 -9.921 -6.962 1.00 0.00 C ATOM 1246 CG ARG A 110 1.005 -8.737 -7.585 1.00 0.00 C ATOM 1247 CD ARG A 110 -0.012 -9.167 -8.639 1.00 0.00 C ATOM 1248 NE ARG A 110 0.654 -9.461 -9.909 1.00 0.00 N ATOM 1249 CZ ARG A 110 0.110 -9.405 -11.124 1.00 0.00 C ATOM 1250 NH1 ARG A 110 -1.138 -8.979 -11.309 1.00 0.00 N ATOM 1251 NH2 ARG A 110 0.848 -9.787 -12.159 1.00 0.00 N ATOM 0 H ARG A 110 2.753 -11.442 -4.730 1.00 0.00 H new ATOM 0 HA ARG A 110 3.345 -8.857 -6.070 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.375 -10.372 -7.736 1.00 0.00 H new ATOM 0 HB3 ARG A 110 1.017 -10.669 -6.668 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.493 -8.183 -6.798 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.725 -8.056 -8.038 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -0.552 -10.048 -8.293 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -0.750 -8.378 -8.783 1.00 0.00 H new ATOM 0 HE ARG A 110 1.635 -9.737 -9.859 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -1.701 -8.686 -10.510 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -1.531 -8.946 -12.250 1.00 0.00 H new ATOM 0 HH21 ARG A 110 1.804 -10.112 -12.012 1.00 0.00 H new ATOM 0 HH22 ARG A 110 0.460 -9.756 -13.102 1.00 0.00 H new ATOM 1265 N LEU A 111 1.557 -7.794 -4.612 1.00 0.00 N ATOM 1266 CA LEU A 111 0.628 -7.192 -3.679 1.00 0.00 C ATOM 1267 C LEU A 111 -0.582 -6.723 -4.472 1.00 0.00 C ATOM 1268 O LEU A 111 -0.481 -5.709 -5.159 1.00 0.00 O ATOM 1269 CB LEU A 111 1.297 -6.061 -2.897 1.00 0.00 C ATOM 1270 CG LEU A 111 0.359 -5.511 -1.814 1.00 0.00 C ATOM 1271 CD1 LEU A 111 0.000 -6.577 -0.775 1.00 0.00 C ATOM 1272 CD2 LEU A 111 1.046 -4.308 -1.162 1.00 0.00 C ATOM 0 H LEU A 111 1.892 -7.154 -5.332 1.00 0.00 H new ATOM 0 HA LEU A 111 0.304 -7.915 -2.931 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.215 -6.426 -2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.579 -5.260 -3.580 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.583 -5.204 -2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.665 -6.146 -0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.500 -7.411 -1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.909 -6.933 -0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.400 -3.896 -0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.990 -4.625 -0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.238 -3.545 -1.917 1.00 0.00 H new ATOM 1284 N ASN A 112 -1.682 -7.478 -4.443 1.00 0.00 N ATOM 1285 CA ASN A 112 -2.954 -7.080 -5.035 1.00 0.00 C ATOM 1286 C ASN A 112 -3.616 -6.061 -4.118 1.00 0.00 C ATOM 1287 O ASN A 112 -3.612 -6.229 -2.898 1.00 0.00 O ATOM 1288 CB ASN A 112 -3.909 -8.278 -5.201 1.00 0.00 C ATOM 1289 CG ASN A 112 -3.508 -9.206 -6.338 1.00 0.00 C ATOM 1290 OD1 ASN A 112 -2.994 -8.757 -7.359 1.00 0.00 O ATOM 1291 ND2 ASN A 112 -3.742 -10.500 -6.214 1.00 0.00 N ATOM 0 H ASN A 112 -1.711 -8.396 -4.000 1.00 0.00 H new ATOM 0 HA ASN A 112 -2.754 -6.663 -6.022 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -3.937 -8.844 -4.270 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -4.919 -7.908 -5.380 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -3.495 -11.138 -6.971 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -4.169 -10.862 -5.361 1.00 0.00 H new ATOM 1298 N LEU A 113 -4.188 -5.005 -4.691 1.00 0.00 N ATOM 1299 CA LEU A 113 -4.825 -3.894 -4.002 1.00 0.00 C ATOM 1300 C LEU A 113 -5.953 -3.395 -4.903 1.00 0.00 C ATOM 1301 O LEU A 113 -5.801 -3.395 -6.130 1.00 0.00 O ATOM 1302 CB LEU A 113 -3.824 -2.736 -3.807 1.00 0.00 C ATOM 1303 CG LEU A 113 -2.516 -3.072 -3.064 1.00 0.00 C ATOM 1304 CD1 LEU A 113 -1.371 -2.196 -3.564 1.00 0.00 C ATOM 1305 CD2 LEU A 113 -2.670 -2.927 -1.552 1.00 0.00 C ATOM 0 H LEU A 113 -4.219 -4.899 -5.705 1.00 0.00 H new ATOM 0 HA LEU A 113 -5.187 -4.220 -3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.566 -2.340 -4.789 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -4.329 -1.937 -3.264 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.282 -4.115 -3.276 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.457 -2.450 -3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.223 -2.364 -4.631 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -1.614 -1.147 -3.393 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -1.726 -3.173 -1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -2.946 -1.900 -1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -3.448 -3.604 -1.199 1.00 0.00 H new ATOM 1317 N THR A 114 -7.021 -2.850 -4.335 1.00 0.00 N ATOM 1318 CA THR A 114 -8.038 -2.111 -5.081 1.00 0.00 C ATOM 1319 C THR A 114 -8.327 -0.828 -4.318 1.00 0.00 C ATOM 1320 O THR A 114 -8.250 -0.826 -3.090 1.00 0.00 O ATOM 1321 CB THR A 114 -9.315 -2.950 -5.224 1.00 0.00 C ATOM 1322 OG1 THR A 114 -9.046 -4.185 -5.876 1.00 0.00 O ATOM 1323 CG2 THR A 114 -10.422 -2.244 -6.010 1.00 0.00 C ATOM 0 H THR A 114 -7.210 -2.908 -3.334 1.00 0.00 H new ATOM 0 HA THR A 114 -7.681 -1.883 -6.085 1.00 0.00 H new ATOM 0 HB THR A 114 -9.661 -3.112 -4.203 1.00 0.00 H new ATOM 0 HG1 THR A 114 -9.875 -4.702 -5.953 1.00 0.00 H new ATOM 0 HG21 THR A 114 -11.295 -2.894 -6.073 1.00 0.00 H new ATOM 0 HG22 THR A 114 -10.694 -1.318 -5.503 1.00 0.00 H new ATOM 0 HG23 THR A 114 -10.066 -2.016 -7.015 1.00 0.00 H new ATOM 1331 N ILE A 115 -8.657 0.245 -5.041 1.00 0.00 N ATOM 1332 CA ILE A 115 -9.195 1.483 -4.493 1.00 0.00 C ATOM 1333 C ILE A 115 -10.243 2.023 -5.477 1.00 0.00 C ATOM 1334 O ILE A 115 -9.926 2.144 -6.665 1.00 0.00 O ATOM 1335 CB ILE A 115 -8.066 2.510 -4.266 1.00 0.00 C ATOM 1336 CG1 ILE A 115 -6.991 1.974 -3.300 1.00 0.00 C ATOM 1337 CG2 ILE A 115 -8.621 3.828 -3.710 1.00 0.00 C ATOM 1338 CD1 ILE A 115 -5.903 3.000 -2.967 1.00 0.00 C ATOM 0 H ILE A 115 -8.552 0.272 -6.055 1.00 0.00 H new ATOM 0 HA ILE A 115 -9.661 1.297 -3.525 1.00 0.00 H new ATOM 0 HB ILE A 115 -7.608 2.688 -5.239 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -7.472 1.653 -2.376 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -6.525 1.092 -3.740 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -7.803 4.533 -3.560 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -9.337 4.248 -4.416 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -9.118 3.641 -2.758 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -5.180 2.555 -2.283 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -5.396 3.303 -3.883 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -6.357 3.873 -2.498 1.00 0.00 H new ATOM 1350 N PRO A 116 -11.450 2.394 -5.005 1.00 0.00 N ATOM 1351 CA PRO A 116 -12.425 3.081 -5.832 1.00 0.00 C ATOM 1352 C PRO A 116 -11.970 4.498 -6.175 1.00 0.00 C ATOM 1353 O PRO A 116 -11.380 5.188 -5.341 1.00 0.00 O ATOM 1354 CB PRO A 116 -13.716 3.115 -5.017 1.00 0.00 C ATOM 1355 CG PRO A 116 -13.319 2.872 -3.566 1.00 0.00 C ATOM 1356 CD PRO A 116 -11.932 2.238 -3.638 1.00 0.00 C ATOM 0 HA PRO A 116 -12.559 2.565 -6.783 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -14.218 4.076 -5.126 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -14.412 2.351 -5.362 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -13.298 3.804 -3.001 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -14.029 2.212 -3.067 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -11.253 2.720 -2.935 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -11.978 1.184 -3.365 1.00 0.00 H new ATOM 1364 N GLN A 117 -12.383 5.001 -7.341 1.00 0.00 N ATOM 1365 CA GLN A 117 -12.165 6.383 -7.761 1.00 0.00 C ATOM 1366 C GLN A 117 -12.793 7.408 -6.807 1.00 0.00 C ATOM 1367 O GLN A 117 -12.510 8.597 -6.914 1.00 0.00 O ATOM 1368 CB GLN A 117 -12.698 6.559 -9.190 1.00 0.00 C ATOM 1369 CG GLN A 117 -11.864 5.814 -10.244 1.00 0.00 C ATOM 1370 CD GLN A 117 -10.450 6.362 -10.397 1.00 0.00 C ATOM 1371 OE1 GLN A 117 -10.228 7.427 -10.965 1.00 0.00 O ATOM 1372 NE2 GLN A 117 -9.468 5.645 -9.883 1.00 0.00 N ATOM 0 H GLN A 117 -12.888 4.446 -8.032 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.093 6.577 -7.735 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -13.727 6.203 -9.233 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -12.717 7.621 -9.435 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -11.809 4.759 -9.974 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -12.374 5.871 -11.206 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.672 4.762 -9.415 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -8.505 5.974 -9.954 1.00 0.00 H new ATOM 1381 N ALA A 118 -13.599 6.963 -5.838 1.00 0.00 N ATOM 1382 CA ALA A 118 -14.061 7.767 -4.716 1.00 0.00 C ATOM 1383 C ALA A 118 -12.912 8.364 -3.896 1.00 0.00 C ATOM 1384 O ALA A 118 -13.160 9.285 -3.119 1.00 0.00 O ATOM 1385 CB ALA A 118 -14.953 6.907 -3.815 1.00 0.00 C ATOM 0 H ALA A 118 -13.954 6.007 -5.817 1.00 0.00 H new ATOM 0 HA ALA A 118 -14.623 8.607 -5.125 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -15.302 7.504 -2.972 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -15.810 6.549 -4.386 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -14.383 6.055 -3.445 1.00 0.00 H new ATOM 1391 N PHE A 119 -11.680 7.860 -4.027 1.00 0.00 N ATOM 1392 CA PHE A 119 -10.527 8.423 -3.335 1.00 0.00 C ATOM 1393 C PHE A 119 -9.278 8.364 -4.216 1.00 0.00 C ATOM 1394 O PHE A 119 -8.207 8.091 -3.695 1.00 0.00 O ATOM 1395 CB PHE A 119 -10.255 7.682 -2.005 1.00 0.00 C ATOM 1396 CG PHE A 119 -11.424 7.412 -1.084 1.00 0.00 C ATOM 1397 CD1 PHE A 119 -12.206 6.274 -1.315 1.00 0.00 C ATOM 1398 CD2 PHE A 119 -11.655 8.187 0.067 1.00 0.00 C ATOM 1399 CE1 PHE A 119 -13.174 5.884 -0.374 1.00 0.00 C ATOM 1400 CE2 PHE A 119 -12.655 7.817 0.987 1.00 0.00 C ATOM 1401 CZ PHE A 119 -13.413 6.652 0.779 1.00 0.00 C ATOM 0 H PHE A 119 -11.460 7.055 -4.613 1.00 0.00 H new ATOM 0 HA PHE A 119 -10.759 9.465 -3.115 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -9.793 6.725 -2.246 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -9.518 8.260 -1.447 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -12.065 5.696 -2.216 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -11.062 9.071 0.246 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -13.743 4.981 -0.539 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -12.840 8.431 1.856 1.00 0.00 H new ATOM 0 HZ PHE A 119 -14.166 6.352 1.493 1.00 0.00 H new ATOM 1411 N MET A 120 -9.310 8.612 -5.522 1.00 0.00 N ATOM 1412 CA MET A 120 -8.113 8.520 -6.348 1.00 0.00 C ATOM 1413 C MET A 120 -8.013 9.801 -7.162 1.00 0.00 C ATOM 1414 O MET A 120 -8.943 10.155 -7.883 1.00 0.00 O ATOM 1415 CB MET A 120 -8.215 7.313 -7.263 1.00 0.00 C ATOM 1416 CG MET A 120 -8.082 6.007 -6.475 1.00 0.00 C ATOM 1417 SD MET A 120 -7.566 4.564 -7.433 1.00 0.00 S ATOM 1418 CE MET A 120 -5.840 4.998 -7.781 1.00 0.00 C ATOM 0 H MET A 120 -10.153 8.878 -6.030 1.00 0.00 H new ATOM 0 HA MET A 120 -7.223 8.401 -5.730 1.00 0.00 H new ATOM 0 HB2 MET A 120 -9.171 7.330 -7.786 1.00 0.00 H new ATOM 0 HB3 MET A 120 -7.435 7.363 -8.023 1.00 0.00 H new ATOM 0 HG2 MET A 120 -7.364 6.161 -5.670 1.00 0.00 H new ATOM 0 HG3 MET A 120 -9.042 5.786 -6.008 1.00 0.00 H new ATOM 0 HE1 MET A 120 -5.347 4.161 -8.275 1.00 0.00 H new ATOM 0 HE2 MET A 120 -5.809 5.872 -8.431 1.00 0.00 H new ATOM 0 HE3 MET A 120 -5.326 5.222 -6.846 1.00 0.00 H new ATOM 1428 N SER A 121 -6.938 10.561 -6.966 1.00 0.00 N ATOM 1429 CA SER A 121 -6.720 11.870 -7.580 1.00 0.00 C ATOM 1430 C SER A 121 -5.245 12.283 -7.574 1.00 0.00 C ATOM 1431 O SER A 121 -4.952 13.391 -8.026 1.00 0.00 O ATOM 1432 CB SER A 121 -7.573 12.977 -6.952 1.00 0.00 C ATOM 1433 OG SER A 121 -8.892 12.535 -6.647 1.00 0.00 O ATOM 0 H SER A 121 -6.171 10.275 -6.357 1.00 0.00 H new ATOM 0 HA SER A 121 -7.039 11.750 -8.615 1.00 0.00 H new ATOM 0 HB2 SER A 121 -7.091 13.331 -6.041 1.00 0.00 H new ATOM 0 HB3 SER A 121 -7.625 13.825 -7.635 1.00 0.00 H new ATOM 0 HG SER A 121 -9.179 11.876 -7.313 1.00 0.00 H new ATOM 1439 N ASN A 122 -4.326 11.439 -7.073 1.00 0.00 N ATOM 1440 CA ASN A 122 -2.896 11.732 -6.909 1.00 0.00 C ATOM 1441 C ASN A 122 -2.692 12.895 -5.910 1.00 0.00 C ATOM 1442 O ASN A 122 -3.442 12.989 -4.940 1.00 0.00 O ATOM 1443 CB ASN A 122 -2.209 11.905 -8.284 1.00 0.00 C ATOM 1444 CG ASN A 122 -2.266 10.681 -9.196 1.00 0.00 C ATOM 1445 OD1 ASN A 122 -3.289 10.013 -9.331 1.00 0.00 O ATOM 1446 ND2 ASN A 122 -1.175 10.392 -9.875 1.00 0.00 N ATOM 0 H ASN A 122 -4.571 10.499 -6.760 1.00 0.00 H new ATOM 0 HA ASN A 122 -2.387 10.882 -6.455 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -2.672 12.746 -8.801 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -1.164 12.168 -8.120 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -1.171 9.605 -10.523 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -0.334 10.956 -9.752 1.00 0.00 H new ATOM 1453 N ARG A 123 -1.691 13.772 -6.109 1.00 0.00 N ATOM 1454 CA ARG A 123 -1.489 15.085 -5.435 1.00 0.00 C ATOM 1455 C ARG A 123 -1.518 14.959 -3.926 1.00 0.00 C ATOM 1456 O ARG A 123 -2.434 15.455 -3.263 1.00 0.00 O ATOM 1457 CB ARG A 123 -2.429 16.245 -5.905 1.00 0.00 C ATOM 1458 CG ARG A 123 -3.129 15.980 -7.214 1.00 0.00 C ATOM 1459 CD ARG A 123 -2.131 15.790 -8.372 1.00 0.00 C ATOM 1460 NE ARG A 123 -2.505 16.514 -9.597 1.00 0.00 N ATOM 1461 CZ ARG A 123 -1.615 17.029 -10.459 1.00 0.00 C ATOM 1462 NH1 ARG A 123 -0.322 16.736 -10.373 1.00 0.00 N ATOM 1463 NH2 ARG A 123 -2.013 17.854 -11.414 1.00 0.00 N ATOM 0 H ARG A 123 -0.952 13.579 -6.785 1.00 0.00 H new ATOM 0 HA ARG A 123 -0.490 15.381 -5.757 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -3.179 16.425 -5.135 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -1.842 17.159 -5.998 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -3.749 15.089 -7.120 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -3.797 16.810 -7.443 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -1.145 16.124 -8.049 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -2.049 14.727 -8.599 1.00 0.00 H new ATOM 0 HE ARG A 123 -3.497 16.631 -9.803 1.00 0.00 H new ATOM 0 HH11 ARG A 123 0.011 16.108 -9.641 1.00 0.00 H new ATOM 0 HH12 ARG A 123 0.338 17.139 -11.039 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -2.999 18.100 -11.497 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -1.333 18.243 -12.067 1.00 0.00 H new ATOM 1477 N ALA A 124 -0.518 14.291 -3.357 1.00 0.00 N ATOM 1478 CA ALA A 124 -0.686 13.973 -1.958 1.00 0.00 C ATOM 1479 C ALA A 124 -0.622 15.233 -1.092 1.00 0.00 C ATOM 1480 O ALA A 124 -0.255 16.315 -1.571 1.00 0.00 O ATOM 1481 CB ALA A 124 0.344 12.931 -1.507 1.00 0.00 C ATOM 0 H ALA A 124 0.346 13.984 -3.804 1.00 0.00 H new ATOM 0 HA ALA A 124 -1.677 13.539 -1.829 1.00 0.00 H new ATOM 0 HB1 ALA A 124 0.197 12.708 -0.450 1.00 0.00 H new ATOM 0 HB2 ALA A 124 0.219 12.019 -2.091 1.00 0.00 H new ATOM 0 HB3 ALA A 124 1.349 13.324 -1.659 1.00 0.00 H new ATOM 1487 N ARG A 125 -0.915 15.102 0.203 1.00 0.00 N ATOM 1488 CA ARG A 125 -0.738 16.189 1.171 1.00 0.00 C ATOM 1489 C ARG A 125 0.749 16.433 1.506 1.00 0.00 C ATOM 1490 O ARG A 125 1.042 17.375 2.239 1.00 0.00 O ATOM 1491 CB ARG A 125 -1.566 15.864 2.431 1.00 0.00 C ATOM 1492 CG ARG A 125 -2.622 16.918 2.805 1.00 0.00 C ATOM 1493 CD ARG A 125 -2.110 18.140 3.588 1.00 0.00 C ATOM 1494 NE ARG A 125 -1.222 19.023 2.813 1.00 0.00 N ATOM 1495 CZ ARG A 125 -1.576 19.883 1.854 1.00 0.00 C ATOM 1496 NH1 ARG A 125 -2.833 19.930 1.432 1.00 0.00 N ATOM 1497 NH2 ARG A 125 -0.670 20.690 1.316 1.00 0.00 N ATOM 0 H ARG A 125 -1.281 14.242 0.611 1.00 0.00 H new ATOM 0 HA ARG A 125 -1.097 17.120 0.733 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -2.067 14.907 2.282 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -0.885 15.739 3.273 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -3.094 17.271 1.888 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -3.398 16.432 3.396 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -2.965 18.719 3.937 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -1.577 17.793 4.473 1.00 0.00 H new ATOM 0 HE ARG A 125 -0.227 18.972 3.033 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -3.531 19.309 1.840 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -3.101 20.588 0.700 1.00 0.00 H new ATOM 0 HH21 ARG A 125 0.298 20.654 1.635 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -0.942 21.346 0.584 1.00 0.00 H new ATOM 1511 N GLY A 126 1.668 15.601 1.019 1.00 0.00 N ATOM 1512 CA GLY A 126 3.095 15.647 1.294 1.00 0.00 C ATOM 1513 C GLY A 126 3.767 14.489 0.570 1.00 0.00 C ATOM 1514 O GLY A 126 4.101 13.483 1.196 1.00 0.00 O ATOM 0 H GLY A 126 1.420 14.838 0.389 1.00 0.00 H new ATOM 0 HA2 GLY A 126 3.514 16.596 0.960 1.00 0.00 H new ATOM 0 HA3 GLY A 126 3.276 15.578 2.367 1.00 0.00 H new ATOM 1518 N TYR A 127 3.852 14.567 -0.759 1.00 0.00 N ATOM 1519 CA TYR A 127 4.437 13.527 -1.593 1.00 0.00 C ATOM 1520 C TYR A 127 5.878 13.290 -1.157 1.00 0.00 C ATOM 1521 O TYR A 127 6.654 14.236 -0.984 1.00 0.00 O ATOM 1522 CB TYR A 127 4.347 13.911 -3.084 1.00 0.00 C ATOM 1523 CG TYR A 127 4.958 12.905 -4.056 1.00 0.00 C ATOM 1524 CD1 TYR A 127 6.354 12.722 -4.086 1.00 0.00 C ATOM 1525 CD2 TYR A 127 4.150 12.131 -4.915 1.00 0.00 C ATOM 1526 CE1 TYR A 127 6.951 11.750 -4.902 1.00 0.00 C ATOM 1527 CE2 TYR A 127 4.732 11.176 -5.770 1.00 0.00 C ATOM 1528 CZ TYR A 127 6.135 10.975 -5.758 1.00 0.00 C ATOM 1529 OH TYR A 127 6.719 10.075 -6.596 1.00 0.00 O ATOM 0 H TYR A 127 3.510 15.368 -1.290 1.00 0.00 H new ATOM 0 HA TYR A 127 3.879 12.599 -1.469 1.00 0.00 H new ATOM 0 HB2 TYR A 127 3.298 14.050 -3.343 1.00 0.00 H new ATOM 0 HB3 TYR A 127 4.840 14.873 -3.225 1.00 0.00 H new ATOM 0 HD1 TYR A 127 6.980 13.346 -3.465 1.00 0.00 H new ATOM 0 HD2 TYR A 127 3.079 12.272 -4.917 1.00 0.00 H new ATOM 0 HE1 TYR A 127 8.020 11.596 -4.877 1.00 0.00 H new ATOM 0 HE2 TYR A 127 4.109 10.596 -6.435 1.00 0.00 H new ATOM 0 HH TYR A 127 6.027 9.619 -7.120 1.00 0.00 H new ATOM 1539 N ILE A 128 6.239 12.017 -1.050 1.00 0.00 N ATOM 1540 CA ILE A 128 7.542 11.547 -0.621 1.00 0.00 C ATOM 1541 C ILE A 128 7.942 10.364 -1.533 1.00 0.00 C ATOM 1542 O ILE A 128 7.082 9.541 -1.884 1.00 0.00 O ATOM 1543 CB ILE A 128 7.447 11.252 0.894 1.00 0.00 C ATOM 1544 CG1 ILE A 128 7.661 12.498 1.782 1.00 0.00 C ATOM 1545 CG2 ILE A 128 8.275 10.062 1.386 1.00 0.00 C ATOM 1546 CD1 ILE A 128 9.048 13.151 1.705 1.00 0.00 C ATOM 0 H ILE A 128 5.600 11.253 -1.271 1.00 0.00 H new ATOM 0 HA ILE A 128 8.348 12.273 -0.729 1.00 0.00 H new ATOM 0 HB ILE A 128 6.408 10.944 1.011 1.00 0.00 H new ATOM 0 HG12 ILE A 128 6.915 13.245 1.511 1.00 0.00 H new ATOM 0 HG13 ILE A 128 7.470 12.218 2.818 1.00 0.00 H new ATOM 0 HG21 ILE A 128 8.137 9.942 2.461 1.00 0.00 H new ATOM 0 HG22 ILE A 128 7.949 9.156 0.875 1.00 0.00 H new ATOM 0 HG23 ILE A 128 9.329 10.239 1.173 1.00 0.00 H new ATOM 0 HD11 ILE A 128 9.081 14.014 2.369 1.00 0.00 H new ATOM 0 HD12 ILE A 128 9.807 12.430 2.009 1.00 0.00 H new ATOM 0 HD13 ILE A 128 9.242 13.473 0.682 1.00 0.00 H new ATOM 1558 N PRO A 129 9.208 10.294 -1.981 1.00 0.00 N ATOM 1559 CA PRO A 129 9.691 9.277 -2.912 1.00 0.00 C ATOM 1560 C PRO A 129 9.904 7.909 -2.241 1.00 0.00 C ATOM 1561 O PRO A 129 9.950 7.816 -1.010 1.00 0.00 O ATOM 1562 CB PRO A 129 11.006 9.842 -3.466 1.00 0.00 C ATOM 1563 CG PRO A 129 11.514 10.791 -2.391 1.00 0.00 C ATOM 1564 CD PRO A 129 10.257 11.249 -1.663 1.00 0.00 C ATOM 0 HA PRO A 129 8.959 9.084 -3.696 1.00 0.00 H new ATOM 0 HB2 PRO A 129 11.725 9.047 -3.662 1.00 0.00 H new ATOM 0 HB3 PRO A 129 10.844 10.365 -4.409 1.00 0.00 H new ATOM 0 HG2 PRO A 129 12.205 10.290 -1.713 1.00 0.00 H new ATOM 0 HG3 PRO A 129 12.050 11.634 -2.827 1.00 0.00 H new ATOM 0 HD2 PRO A 129 10.428 11.290 -0.587 1.00 0.00 H new ATOM 0 HD3 PRO A 129 9.973 12.253 -1.979 1.00 0.00 H new ATOM 1572 N PRO A 130 10.129 6.834 -3.022 1.00 0.00 N ATOM 1573 CA PRO A 130 10.441 5.501 -2.503 1.00 0.00 C ATOM 1574 C PRO A 130 11.844 5.404 -1.878 1.00 0.00 C ATOM 1575 O PRO A 130 12.298 4.301 -1.574 1.00 0.00 O ATOM 1576 CB PRO A 130 10.272 4.554 -3.693 1.00 0.00 C ATOM 1577 CG PRO A 130 10.651 5.430 -4.875 1.00 0.00 C ATOM 1578 CD PRO A 130 10.106 6.800 -4.478 1.00 0.00 C ATOM 0 HA PRO A 130 9.775 5.242 -1.680 1.00 0.00 H new ATOM 0 HB2 PRO A 130 10.921 3.682 -3.611 1.00 0.00 H new ATOM 0 HB3 PRO A 130 9.250 4.185 -3.774 1.00 0.00 H new ATOM 0 HG2 PRO A 130 11.730 5.454 -5.029 1.00 0.00 H new ATOM 0 HG3 PRO A 130 10.204 5.071 -5.802 1.00 0.00 H new ATOM 0 HD2 PRO A 130 10.717 7.599 -4.897 1.00 0.00 H new ATOM 0 HD3 PRO A 130 9.093 6.942 -4.856 1.00 0.00 H new ATOM 1586 N GLU A 131 12.536 6.525 -1.689 1.00 0.00 N ATOM 1587 CA GLU A 131 13.916 6.610 -1.232 1.00 0.00 C ATOM 1588 C GLU A 131 14.042 7.659 -0.124 1.00 0.00 C ATOM 1589 O GLU A 131 15.103 8.238 0.094 1.00 0.00 O ATOM 1590 CB GLU A 131 14.783 6.902 -2.453 1.00 0.00 C ATOM 1591 CG GLU A 131 16.277 6.675 -2.200 1.00 0.00 C ATOM 1592 CD GLU A 131 16.912 6.017 -3.420 1.00 0.00 C ATOM 1593 OE1 GLU A 131 17.600 6.710 -4.210 1.00 0.00 O ATOM 1594 OE2 GLU A 131 16.657 4.808 -3.632 1.00 0.00 O ATOM 0 H GLU A 131 12.126 7.443 -1.860 1.00 0.00 H new ATOM 0 HA GLU A 131 14.255 5.675 -0.786 1.00 0.00 H new ATOM 0 HB2 GLU A 131 14.461 6.269 -3.279 1.00 0.00 H new ATOM 0 HB3 GLU A 131 14.626 7.935 -2.763 1.00 0.00 H new ATOM 0 HG2 GLU A 131 16.768 7.625 -1.991 1.00 0.00 H new ATOM 0 HG3 GLU A 131 16.415 6.044 -1.322 1.00 0.00 H new ATOM 1602 N LEU A 132 12.922 7.933 0.546 1.00 0.00 N ATOM 1603 CA LEU A 132 12.898 8.534 1.876 1.00 0.00 C ATOM 1604 C LEU A 132 12.024 7.717 2.830 1.00 0.00 C ATOM 1605 O LEU A 132 12.234 7.769 4.043 1.00 0.00 O ATOM 1606 CB LEU A 132 12.425 9.990 1.764 1.00 0.00 C ATOM 1607 CG LEU A 132 13.506 10.928 1.201 1.00 0.00 C ATOM 1608 CD1 LEU A 132 12.906 12.323 0.968 1.00 0.00 C ATOM 1609 CD2 LEU A 132 14.686 11.087 2.166 1.00 0.00 C ATOM 0 H LEU A 132 11.993 7.740 0.172 1.00 0.00 H new ATOM 0 HA LEU A 132 13.904 8.531 2.296 1.00 0.00 H new ATOM 0 HB2 LEU A 132 11.544 10.032 1.123 1.00 0.00 H new ATOM 0 HB3 LEU A 132 12.120 10.345 2.749 1.00 0.00 H new ATOM 0 HG LEU A 132 13.862 10.485 0.271 1.00 0.00 H new ATOM 0 HD11 LEU A 132 13.673 12.987 0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 132 12.083 12.251 0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 132 12.536 12.722 1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 132 15.426 11.757 1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 132 14.331 11.503 3.109 1.00 0.00 H new ATOM 0 HD23 LEU A 132 15.141 10.113 2.348 1.00 0.00 H new ATOM 1621 N TRP A 133 11.096 6.924 2.287 1.00 0.00 N ATOM 1622 CA TRP A 133 10.284 5.963 3.030 1.00 0.00 C ATOM 1623 C TRP A 133 11.005 4.643 3.285 1.00 0.00 C ATOM 1624 O TRP A 133 10.462 3.811 4.006 1.00 0.00 O ATOM 1625 CB TRP A 133 8.957 5.761 2.280 1.00 0.00 C ATOM 1626 CG TRP A 133 8.816 4.502 1.478 1.00 0.00 C ATOM 1627 CD1 TRP A 133 9.701 4.001 0.585 1.00 0.00 C ATOM 1628 CD2 TRP A 133 7.759 3.511 1.579 1.00 0.00 C ATOM 1629 NE1 TRP A 133 9.264 2.774 0.131 1.00 0.00 N ATOM 1630 CE2 TRP A 133 8.075 2.413 0.729 1.00 0.00 C ATOM 1631 CE3 TRP A 133 6.551 3.458 2.300 1.00 0.00 C ATOM 1632 CZ2 TRP A 133 7.251 1.286 0.646 1.00 0.00 C ATOM 1633 CZ3 TRP A 133 5.703 2.335 2.202 1.00 0.00 C ATOM 1634 CH2 TRP A 133 6.061 1.241 1.390 1.00 0.00 C ATOM 0 H TRP A 133 10.885 6.935 1.289 1.00 0.00 H new ATOM 0 HA TRP A 133 10.086 6.369 4.022 1.00 0.00 H new ATOM 0 HB2 TRP A 133 8.147 5.791 3.009 1.00 0.00 H new ATOM 0 HB3 TRP A 133 8.814 6.608 1.609 1.00 0.00 H new ATOM 0 HD1 TRP A 133 10.613 4.489 0.274 1.00 0.00 H new ATOM 0 HE1 TRP A 133 9.757 2.207 -0.558 1.00 0.00 H new ATOM 0 HE3 TRP A 133 6.271 4.286 2.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 7.528 0.456 0.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 4.774 2.314 2.753 1.00 0.00 H new ATOM 0 HH2 TRP A 133 5.423 0.371 1.340 1.00 0.00 H new ATOM 1645 N ASP A 134 12.161 4.458 2.644 1.00 0.00 N ATOM 1646 CA ASP A 134 12.893 3.227 2.376 1.00 0.00 C ATOM 1647 C ASP A 134 12.861 2.267 3.562 1.00 0.00 C ATOM 1648 O ASP A 134 13.676 2.424 4.472 1.00 0.00 O ATOM 1649 CB ASP A 134 14.335 3.521 1.911 1.00 0.00 C ATOM 1650 CG ASP A 134 15.110 4.619 2.648 1.00 0.00 C ATOM 1651 OD1 ASP A 134 14.578 5.739 2.815 1.00 0.00 O ATOM 1652 OD2 ASP A 134 16.289 4.389 3.006 1.00 0.00 O ATOM 0 H ASP A 134 12.659 5.260 2.259 1.00 0.00 H new ATOM 0 HA ASP A 134 12.382 2.722 1.556 1.00 0.00 H new ATOM 0 HB2 ASP A 134 14.908 2.597 1.988 1.00 0.00 H new ATOM 0 HB3 ASP A 134 14.299 3.787 0.854 1.00 0.00 H new ATOM 1658 N PRO A 135 11.921 1.301 3.594 1.00 0.00 N ATOM 1659 CA PRO A 135 11.646 0.565 4.808 1.00 0.00 C ATOM 1660 C PRO A 135 12.699 -0.538 4.991 1.00 0.00 C ATOM 1661 O PRO A 135 13.654 -0.363 5.746 1.00 0.00 O ATOM 1662 CB PRO A 135 10.206 0.063 4.663 1.00 0.00 C ATOM 1663 CG PRO A 135 10.010 -0.089 3.153 1.00 0.00 C ATOM 1664 CD PRO A 135 10.910 1.008 2.582 1.00 0.00 C ATOM 0 HA PRO A 135 11.718 1.163 5.716 1.00 0.00 H new ATOM 0 HB2 PRO A 135 10.061 -0.885 5.181 1.00 0.00 H new ATOM 0 HB3 PRO A 135 9.493 0.770 5.088 1.00 0.00 H new ATOM 0 HG2 PRO A 135 10.307 -1.078 2.804 1.00 0.00 H new ATOM 0 HG3 PRO A 135 8.968 0.051 2.864 1.00 0.00 H new ATOM 0 HD2 PRO A 135 11.377 0.679 1.654 1.00 0.00 H new ATOM 0 HD3 PRO A 135 10.329 1.900 2.348 1.00 0.00 H new ATOM 1672 N GLY A 136 12.578 -1.653 4.264 1.00 0.00 N ATOM 1673 CA GLY A 136 13.357 -2.856 4.513 1.00 0.00 C ATOM 1674 C GLY A 136 14.450 -3.094 3.478 1.00 0.00 C ATOM 1675 O GLY A 136 14.858 -4.244 3.320 1.00 0.00 O ATOM 0 H GLY A 136 11.930 -1.740 3.481 1.00 0.00 H new ATOM 0 HA2 GLY A 136 13.811 -2.788 5.501 1.00 0.00 H new ATOM 0 HA3 GLY A 136 12.688 -3.716 4.529 1.00 0.00 H new ATOM 1679 N ILE A 137 14.902 -2.067 2.749 1.00 0.00 N ATOM 1680 CA ILE A 137 15.823 -2.213 1.622 1.00 0.00 C ATOM 1681 C ILE A 137 17.194 -2.728 2.089 1.00 0.00 C ATOM 1682 O ILE A 137 18.097 -1.929 2.357 1.00 0.00 O ATOM 1683 CB ILE A 137 15.989 -0.899 0.820 1.00 0.00 C ATOM 1684 CG1 ILE A 137 14.659 -0.181 0.517 1.00 0.00 C ATOM 1685 CG2 ILE A 137 16.746 -1.216 -0.493 1.00 0.00 C ATOM 1686 CD1 ILE A 137 14.906 1.094 -0.286 1.00 0.00 C ATOM 0 H ILE A 137 14.633 -1.100 2.930 1.00 0.00 H new ATOM 0 HA ILE A 137 15.379 -2.950 0.953 1.00 0.00 H new ATOM 0 HB ILE A 137 16.556 -0.206 1.441 1.00 0.00 H new ATOM 0 HG12 ILE A 137 14.000 -0.846 -0.041 1.00 0.00 H new ATOM 0 HG13 ILE A 137 14.151 0.063 1.450 1.00 0.00 H new ATOM 0 HG21 ILE A 137 16.872 -0.300 -1.071 1.00 0.00 H new ATOM 0 HG22 ILE A 137 17.725 -1.633 -0.257 1.00 0.00 H new ATOM 0 HG23 ILE A 137 16.175 -1.938 -1.077 1.00 0.00 H new ATOM 0 HD11 ILE A 137 13.955 1.586 -0.490 1.00 0.00 H new ATOM 0 HD12 ILE A 137 15.547 1.766 0.285 1.00 0.00 H new ATOM 0 HD13 ILE A 137 15.393 0.842 -1.228 1.00 0.00 H new ATOM 1698 N ASN A 138 17.377 -4.052 2.074 1.00 0.00 N ATOM 1699 CA ASN A 138 18.654 -4.741 2.263 1.00 0.00 C ATOM 1700 C ASN A 138 19.418 -4.155 3.459 1.00 0.00 C ATOM 1701 O ASN A 138 20.580 -3.751 3.347 1.00 0.00 O ATOM 1702 CB ASN A 138 19.467 -4.718 0.957 1.00 0.00 C ATOM 1703 CG ASN A 138 18.695 -5.290 -0.224 1.00 0.00 C ATOM 1704 OD1 ASN A 138 18.009 -4.552 -0.926 1.00 0.00 O ATOM 1705 ND2 ASN A 138 18.783 -6.580 -0.495 1.00 0.00 N ATOM 0 H ASN A 138 16.604 -4.700 1.923 1.00 0.00 H new ATOM 0 HA ASN A 138 18.469 -5.788 2.503 1.00 0.00 H new ATOM 0 HB2 ASN A 138 19.758 -3.692 0.733 1.00 0.00 H new ATOM 0 HB3 ASN A 138 20.386 -5.287 1.096 1.00 0.00 H new ATOM 0 HD21 ASN A 138 18.279 -6.969 -1.292 1.00 0.00 H new ATOM 0 HD22 ASN A 138 19.355 -7.187 0.093 1.00 0.00 H new ATOM 1712 N ALA A 139 18.738 -4.056 4.598 1.00 0.00 N ATOM 1713 CA ALA A 139 19.159 -3.293 5.765 1.00 0.00 C ATOM 1714 C ALA A 139 19.071 -4.196 6.989 1.00 0.00 C ATOM 1715 O ALA A 139 18.854 -3.716 8.116 1.00 0.00 O ATOM 1716 CB ALA A 139 18.266 -2.032 5.849 1.00 0.00 C ATOM 0 H ALA A 139 17.843 -4.525 4.737 1.00 0.00 H new ATOM 0 HA ALA A 139 20.193 -2.955 5.702 1.00 0.00 H new ATOM 0 HB1 ALA A 139 18.557 -1.437 6.715 1.00 0.00 H new ATOM 0 HB2 ALA A 139 18.389 -1.438 4.943 1.00 0.00 H new ATOM 0 HB3 ALA A 139 17.223 -2.331 5.948 1.00 0.00 H new TER 1722 ALA A 139